(6Z)-1-amino-N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-(aminomethylidene)-4-methylpyridine-3-carboxamide

C21H22N6O — CID 155134088

IUPAC(6Z)-1-amino-N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-(aminomethylidene)-4-methylpyridine-3-carboxamide
SMILES[H]/N=C(\c1ccccc1)c1cc(NC(=O)C2=CN(N)/C(=C\N)C=C2C)ccc1N
InChIInChI=1S/C21H22N6O/c1-13-9-16(11-22)27(25)12-18(13)21(28)26-15-7-8-19(23)17(10-15)20(24)14-5-3-2-4-6-14/h2-12,24H,22-23,25H2,1H3,(H,26,28)/b16-11-,24-20+
InChIKeySPRHPPIQVUIJGP-WITRODARSA-N
MW374.45 g/mol
LogP2.44
Rot. Bonds4

About (6Z)-1-amino-N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-(aminomethylidene)-4-methylpyridine-3-carboxamide

(6Z)-1-amino-N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-(aminomethylidene)-4-methylpyridine-3-carboxamide (PubChem CID 155134088) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is (6Z)-1-amino-N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-(aminomethylidene)-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name(6Z)-1-amino-N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-(aminomethylidene)-4-methylpyridine-3-carboxamide
PubChem CID155134088
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name(6Z)-1-amino-N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-(aminomethylidene)-4-methylpyridine-3-carboxamide
SMILES[H]/N=C(\c1ccccc1)c1cc(NC(=O)C2=CN(N)/C(=C\N)C=C2C)ccc1N
InChIInChI=1S/C21H22N6O/c1-13-9-16(11-22)27(25)12-18(13)21(28)26-15-7-8-19(23)17(10-15)20(24)14-5-3-2-4-6-14/h2-12,24H,22-23,25H2,1H3,(H,26,28)/b16-11-,24-20+
InChIKeySPRHPPIQVUIJGP-WITRODARSA-N
XLogP2.44
TPSA134.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-methyl-1H-benzimidazole-5-carboxamide;molecular hydrogen
CID 155698794
3,4-diamino-N-[4-amino-3-(pyridine-4-carboximidoyl)phenyl]-2-methylbenzamide
CID 155134753
N-[4-amino-3-(3-carbamoylbenzenecarboximidoyl)phenyl]-3H-indene-1-carboxamide
CID 123924550
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide
CID 155481992
4-N-[(Z)-2-aminoethenyl]-2-(pyridine-4-carboximidoyl)benzene-1,4-diamine
CID 139472490
2-(benzenecarboximidoyl)benzene-1,4-diamine
CID 142270797
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 155135058
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide
CID 155481757
N-[4-amino-3-(2-methylbenzenecarboximidoyl)phenyl]-2,6-difluoro-3-methanimidoyl-4-(methylamino)benzamide
CID 155134168
2-(benzenecarboximidoyl)-4-N-(3-phenylphenyl)sulfanylbenzene-1,4-diamine
CID 142806416
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen
CID 155698826
N-[3-[2-amino-5-[(2-amino-1,3-diazabicyclo[4.1.0]hepta-2,4-dien-6-yl)amino]benzenecarboximidoyl]phenyl]acetamide
CID 143557436

Frequently Asked Questions

What is the IUPAC name of (6Z)-1-amino-N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-(aminomethylidene)-4-methylpyridine-3-carboxamide?
The IUPAC name of (6Z)-1-amino-N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-(aminomethylidene)-4-methylpyridine-3-carboxamide (CID 155134088) is (6Z)-1-amino-N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-(aminomethylidene)-4-methylpyridine-3-carboxamide.
What is the SMILES notation for (6Z)-1-amino-N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-(aminomethylidene)-4-methylpyridine-3-carboxamide?
The canonical SMILES for (6Z)-1-amino-N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-(aminomethylidene)-4-methylpyridine-3-carboxamide is [H]/N=C(\c1ccccc1)c1cc(NC(=O)C2=CN(N)/C(=C\N)C=C2C)ccc1N.
What is the InChIKey of (6Z)-1-amino-N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-(aminomethylidene)-4-methylpyridine-3-carboxamide?
The InChIKey is SPRHPPIQVUIJGP-WITRODARSA-N. The full InChI is InChI=1S/C21H22N6O/c1-13-9-16(11-22)27(25)12-18(13)21(28)26-15-7-8-19(23)17(10-15)20(24)14-5-3-2-4-6-14/h2-12,24H,22-23,25H2,1H3,(H,26,28)/b16-11-,24-20+.
What are the key properties of (6Z)-1-amino-N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-(aminomethylidene)-4-methylpyridine-3-carboxamide?
(6Z)-1-amino-N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-(aminomethylidene)-4-methylpyridine-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 2.44, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-1-amino-N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-(aminomethylidene)-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 155134088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).