N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-1H-benzimidazole-4-carboxamide

C27H22N6O3 — CID 171504927

IUPACN-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(NCc1ccnc(NC(=O)c2cccc3[nH]cnc23)c1)c1ncccc1OCc1ccccc1
InChIInChI=1S/C27H22N6O3/c34-26(20-8-4-9-21-24(20)32-17-31-21)33-23-14-19(11-13-28-23)15-30-27(35)25-22(10-5-12-29-25)36-16-18-6-2-1-3-7-18/h1-14,17H,15-16H2,(H,30,35)(H,31,32)(H,28,33,34)
InChIKeyJINAPQPHXMESCJ-UHFFFAOYSA-N
MW478.51 g/mol
LogP4.11
Rot. Bonds8

About N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-1H-benzimidazole-4-carboxamide

N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-1H-benzimidazole-4-carboxamide (PubChem CID 171504927) has the molecular formula C27H22N6O3 and a molecular weight of 478.51 g/mol. Its IUPAC name is N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-1H-benzimidazole-4-carboxamide
PubChem CID171504927
Molecular FormulaC27H22N6O3
Molecular Weight478.51 g/mol
Exact Mass478.18
IUPAC NameN-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(NCc1ccnc(NC(=O)c2cccc3[nH]cnc23)c1)c1ncccc1OCc1ccccc1
InChIInChI=1S/C27H22N6O3/c34-26(20-8-4-9-21-24(20)32-17-31-21)33-23-14-19(11-13-28-23)15-30-27(35)25-22(10-5-12-29-25)36-16-18-6-2-1-3-7-18/h1-14,17H,15-16H2,(H,30,35)(H,31,32)(H,28,33,34)
InChIKeyJINAPQPHXMESCJ-UHFFFAOYSA-N
XLogP4.11
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-oxo-N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-3H-1,3-benzoxazole-4-carboxamide
CID 171505059
N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide
CID 171504993
N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide;hydrochloride
CID 171504992
N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]quinoline-8-carboxamide
CID 171504971
2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46469673
3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide
CID 69444328
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
3-hydroxy-N-[4-[[(4-oxo-1H-pyridine-2-carbonyl)amino]methyl]-2-pyridinyl]pyridine-2-carboxamide
CID 171505011
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide
CID 110700914
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 47057026
N-(2-aminoacetyl)-3-phenylmethoxypyridine-2-carboxamide
CID 15295479

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-1H-benzimidazole-4-carboxamide (CID 171504927) is N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-1H-benzimidazole-4-carboxamide is O=C(NCc1ccnc(NC(=O)c2cccc3[nH]cnc23)c1)c1ncccc1OCc1ccccc1.
What is the InChIKey of N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is JINAPQPHXMESCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O3/c34-26(20-8-4-9-21-24(20)32-17-31-21)33-23-14-19(11-13-28-23)15-30-27(35)25-22(10-5-12-29-25)36-16-18-6-2-1-3-7-18/h1-14,17H,15-16H2,(H,30,35)(H,31,32)(H,28,33,34).
What are the key properties of N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-1H-benzimidazole-4-carboxamide?
N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 478.51 g/mol, XLogP of 4.11, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 171504927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).