3-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]pyrazine-2-carboxylic Acid

HCID 2811397

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Basic information

CAS: 690626-19-8
Standard SMILES: O=C(O)c1nccnc1C(=O)NCCN1CCN(Cc2ccccc2)CC1
InChIKey: NJIDZOZYJQNASA-UHFFFAOYSA-N
Molecular formula: C19H23N5O3
Average molar mass: 369.4 g/mol
Monoisotopic mass: 369.18008961

Names & identifiers

Preferred name: 3-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]pyrazine-2-carboxylic Acid
IUPAC: 3-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
English name: 3-({[2-(4-Benzylpiperazino)ethyl]amino}carbonyl)-2-pyrazinecarboxylic acid
Molecular formula: C19H23N5O3
Molecular weight: 369.41762

Names & synonyms

690626-19-83-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]pyrazine-2-carboxylic AcidOprea1_609982DTXSID803846133-{[2-(4-benzylpiperazin-1-yl)ethyl]carbamoyl}pyrazine-2-carboxylic acidAG-G-68328NS000163083-({[2-(4-Benzylpiperazino)ethyl]amino}carbonyl)-2-pyrazinecarboxylic acid

Database identifiers

CAS: 690626-19-8
PubChem CID: 2811397
DTXSID: DTXSID80384613

Properties

Computed structural properties

XLogP: -1.7
Topological polar surface area: 98.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 27
Formal charge: 0
Complexity: 490

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