2-[[6-(3-cyanophenyl)pyridine-2-carbonyl]amino]-N-(furan-2-ylmethyl)-1H-benzimidazole-4-carboxamide

C26H18N6O3 — CID 58026534

IUPAC2-[[6-(3-cyanophenyl)pyridine-2-carbonyl]amino]-N-(furan-2-ylmethyl)-1H-benzimidazole-4-carboxamide
SMILESN#Cc1cccc(-c2cccc(C(=O)Nc3nc4c(C(=O)NCc5ccco5)cccc4[nH]3)n2)c1
InChIInChI=1S/C26H18N6O3/c27-14-16-5-1-6-17(13-16)20-9-3-11-22(29-20)25(34)32-26-30-21-10-2-8-19(23(21)31-26)24(33)28-15-18-7-4-12-35-18/h1-13H,15H2,(H,28,33)(H2,30,31,32,34)
InChIKeyNVJKPGFIZGIDIB-UHFFFAOYSA-N
MW462.47 g/mol
LogP4.27
Rot. Bonds6

About 2-[[6-(3-cyanophenyl)pyridine-2-carbonyl]amino]-N-(furan-2-ylmethyl)-1H-benzimidazole-4-carboxamide

2-[[6-(3-cyanophenyl)pyridine-2-carbonyl]amino]-N-(furan-2-ylmethyl)-1H-benzimidazole-4-carboxamide (PubChem CID 58026534) has the molecular formula C26H18N6O3 and a molecular weight of 462.47 g/mol. Its IUPAC name is 2-[[6-(3-cyanophenyl)pyridine-2-carbonyl]amino]-N-(furan-2-ylmethyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[[6-(3-cyanophenyl)pyridine-2-carbonyl]amino]-N-(furan-2-ylmethyl)-1H-benzimidazole-4-carboxamide
PubChem CID58026534
Molecular FormulaC26H18N6O3
Molecular Weight462.47 g/mol
Exact Mass462.14
IUPAC Name2-[[6-(3-cyanophenyl)pyridine-2-carbonyl]amino]-N-(furan-2-ylmethyl)-1H-benzimidazole-4-carboxamide
SMILESN#Cc1cccc(-c2cccc(C(=O)Nc3nc4c(C(=O)NCc5ccco5)cccc4[nH]3)n2)c1
InChIInChI=1S/C26H18N6O3/c27-14-16-5-1-6-17(13-16)20-9-3-11-22(29-20)25(34)32-26-30-21-10-2-8-19(23(21)31-26)24(33)28-15-18-7-4-12-35-18/h1-13H,15H2,(H,28,33)(H2,30,31,32,34)
InChIKeyNVJKPGFIZGIDIB-UHFFFAOYSA-N
XLogP4.27
TPSA136.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-(3-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209439
1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 47177058
N-[4-[(4-chlorophenyl)methylcarbamoyl]-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide
CID 58026661
6-N-(3-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097178
6-N-(2,5-dichlorophenyl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097197
1-(3-cyanophenyl)-3-(furan-2-ylmethyl)thiourea
CID 8614906
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 34141104
2-[[6-(2-pyridin-3-ylethynyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid
CID 68972119
2-(4-cyanophenyl)-N-(furan-2-ylmethyl)acetamide
CID 62404887

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-cyanophenyl)pyridine-2-carbonyl]amino]-N-(furan-2-ylmethyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[[6-(3-cyanophenyl)pyridine-2-carbonyl]amino]-N-(furan-2-ylmethyl)-1H-benzimidazole-4-carboxamide (CID 58026534) is 2-[[6-(3-cyanophenyl)pyridine-2-carbonyl]amino]-N-(furan-2-ylmethyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[[6-(3-cyanophenyl)pyridine-2-carbonyl]amino]-N-(furan-2-ylmethyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[[6-(3-cyanophenyl)pyridine-2-carbonyl]amino]-N-(furan-2-ylmethyl)-1H-benzimidazole-4-carboxamide is N#Cc1cccc(-c2cccc(C(=O)Nc3nc4c(C(=O)NCc5ccco5)cccc4[nH]3)n2)c1.
What is the InChIKey of 2-[[6-(3-cyanophenyl)pyridine-2-carbonyl]amino]-N-(furan-2-ylmethyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is NVJKPGFIZGIDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N6O3/c27-14-16-5-1-6-17(13-16)20-9-3-11-22(29-20)25(34)32-26-30-21-10-2-8-19(23(21)31-26)24(33)28-15-18-7-4-12-35-18/h1-13H,15H2,(H,28,33)(H2,30,31,32,34).
What are the key properties of 2-[[6-(3-cyanophenyl)pyridine-2-carbonyl]amino]-N-(furan-2-ylmethyl)-1H-benzimidazole-4-carboxamide?
2-[[6-(3-cyanophenyl)pyridine-2-carbonyl]amino]-N-(furan-2-ylmethyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 462.47 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-cyanophenyl)pyridine-2-carbonyl]amino]-N-(furan-2-ylmethyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58026534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).