N-(5-Chloro-4-(1-methylpiperidin-4-ylamino)pyridin-2-yl)pivalamide

HCID 59613362

Notes Reactions

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Basic information

Standard SMILES: CN1CCC(Nc2cc(NC(=O)C(C)(C)C)ncc2Cl)CC1
InChIKey: FNARWWKHSPGLAU-UHFFFAOYSA-N
Molecular formula: C16H25ClN4O
Average molar mass: 324.8 g/mol
Monoisotopic mass: 324.1716891

Names & identifiers

Preferred name: N-(5-Chloro-4-(1-methylpiperidin-4-ylamino)pyridin-2-yl)pivalamide
IUPAC: N-[5-chloro-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]-2,2-dimethylpropanamide

Names & synonyms

SCHEMBL617319FNARWWKHSPGLAU-UHFFFAOYSA-NN-(5-Chloro-4-(1-methylpiperidin-4-ylamino)pyridin-2-yl)pivalamide

Database identifiers

PubChem CID: 59613362

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 57.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 377

Related reactions

8 records

New reaction record

HRID 384676As productuspto-grants-2013_02

HRID 384677As reactantuspto-grants-2013_02

HRID 384683As reactantuspto-grants-2013_02

HRID 556838As productuspto-grants-2011_11

HRID 556839As reactantuspto-grants-2011_11

HRID 556844As reactantuspto-grants-2011_11

HRID 936216As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1571401As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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