4-amino-N-[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide

HCID 150477

Notes Reactions

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Basic information

CAS: 97950-75-9
Standard SMILES: Cn1cc(NC(=O)c2cc(N)cn2C)cc1C(=O)NCCC(=N)N
InChIKey: JKQDWVURPXBPFA-UHFFFAOYSA-N
Molecular formula: C15H21N7O2
Average molar mass: 331.37 g/mol
Monoisotopic mass: 331.17567294

Names & identifiers

Preferred name: 4-amino-N-[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide
IUPAC: 4-amino-N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide

Names & synonyms

SCHEMBL7510361CHEMBL11830511H-Pyrrole-2-carboxamide, 4-amino-N-[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-4-amino-N-[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide

Database identifiers

CAS: 97950-75-9
PubChem CID: 150477
ChEMBL: CHEMBL1183051
Nikkaji: J1.394.340K

Properties

Computed structural properties

XLogP: -1.6
Topological polar surface area: 144 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 498

Related reactions

1 records

New reaction record

HRID 1570218As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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