6-(3-cyanophenyl)-N-[4-(hydrazinecarbonyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide

C21H15N7O2 — CID 70323813

IUPAC6-(3-cyanophenyl)-N-[4-(hydrazinecarbonyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide
SMILESN#Cc1cccc(-c2cccc(C(=O)Nc3nc4c(C(=O)NN)cccc4[nH]3)n2)c1
InChIInChI=1S/C21H15N7O2/c22-11-12-4-1-5-13(10-12)15-7-3-9-17(24-15)20(30)27-21-25-16-8-2-6-14(18(16)26-21)19(29)28-23/h1-10H,23H2,(H,28,29)(H2,25,26,27,30)
InChIKeyYPCACDFCUSMKDN-UHFFFAOYSA-N
MW397.40 g/mol
LogP2.35
Rot. Bonds4

About 6-(3-cyanophenyl)-N-[4-(hydrazinecarbonyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide

6-(3-cyanophenyl)-N-[4-(hydrazinecarbonyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide (PubChem CID 70323813) has the molecular formula C21H15N7O2 and a molecular weight of 397.40 g/mol. Its IUPAC name is 6-(3-cyanophenyl)-N-[4-(hydrazinecarbonyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-cyanophenyl)-N-[4-(hydrazinecarbonyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide
PubChem CID70323813
Molecular FormulaC21H15N7O2
Molecular Weight397.40 g/mol
Exact Mass397.13
IUPAC Name6-(3-cyanophenyl)-N-[4-(hydrazinecarbonyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide
SMILESN#Cc1cccc(-c2cccc(C(=O)Nc3nc4c(C(=O)NN)cccc4[nH]3)n2)c1
InChIInChI=1S/C21H15N7O2/c22-11-12-4-1-5-13(10-12)15-7-3-9-17(24-15)20(30)27-21-25-16-8-2-6-14(18(16)26-21)19(29)28-23/h1-10H,23H2,(H,28,29)(H2,25,26,27,30)
InChIKeyYPCACDFCUSMKDN-UHFFFAOYSA-N
XLogP2.35
TPSA149.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(3-cyanophenyl)-N-[4-(3-methylbutanoyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide
CID 58190952
2-[[6-(3-cyanophenyl)pyridine-2-carbonyl]amino]-N-(furan-2-ylmethyl)-1H-benzimidazole-4-carboxamide
CID 58026534
6-(3-cyanophenyl)-N-[4-[2-(3H-pyrrol-2-yl)acetyl]-1H-benzimidazol-2-yl]pyridine-3-carboxamide
CID 58190896
N-(1H-imidazol-2-yl)-2-[[6-(4-methoxyphenyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxamide
CID 67891546
2-[[6-[2-(3-methylphenyl)ethynyl]pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid
CID 68972124
2-[[6-(2-pyridin-3-ylethynyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid
CID 68972119
2-[[6-(2-phenylethyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid
CID 68971249
N-(1H-benzimidazol-2-yl)-3-cyanobenzamide
CID 2635761
2-[(2-chlorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 11858230
2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid
CID 68970786
N-(1H-imidazol-2-yl)-2-[[6-[2-[4-(methylamino)phenyl]ethynyl]pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxamide
CID 143293986
N-[4-[(4-chlorophenyl)methylcarbamoyl]-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide
CID 58026661

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanophenyl)-N-[4-(hydrazinecarbonyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(3-cyanophenyl)-N-[4-(hydrazinecarbonyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide (CID 70323813) is 6-(3-cyanophenyl)-N-[4-(hydrazinecarbonyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-cyanophenyl)-N-[4-(hydrazinecarbonyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(3-cyanophenyl)-N-[4-(hydrazinecarbonyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide is N#Cc1cccc(-c2cccc(C(=O)Nc3nc4c(C(=O)NN)cccc4[nH]3)n2)c1.
What is the InChIKey of 6-(3-cyanophenyl)-N-[4-(hydrazinecarbonyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide?
The InChIKey is YPCACDFCUSMKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N7O2/c22-11-12-4-1-5-13(10-12)15-7-3-9-17(24-15)20(30)27-21-25-16-8-2-6-14(18(16)26-21)19(29)28-23/h1-10H,23H2,(H,28,29)(H2,25,26,27,30).
What are the key properties of 6-(3-cyanophenyl)-N-[4-(hydrazinecarbonyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide?
6-(3-cyanophenyl)-N-[4-(hydrazinecarbonyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide has a molecular weight of 397.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanophenyl)-N-[4-(hydrazinecarbonyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 70323813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).