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

C27H21N5O5 — CID 171505059

IUPAC2-oxo-N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-3H-1,3-benzoxazole-4-carboxamide
SMILESO=C(NCc1ccnc(NC(=O)c2cccc3oc(=O)[nH]c23)c1)c1ncccc1OCc1ccccc1
InChIInChI=1S/C27H21N5O5/c33-25(19-8-4-9-21-23(19)32-27(35)37-21)31-22-14-18(11-13-28-22)15-30-26(34)24-20(10-5-12-29-24)36-16-17-6-2-1-3-7-17/h1-14H,15-16H2,(H,30,34)(H,32,35)(H,28,31,33)
InChIKeyBJNRRLSEJWMGJS-UHFFFAOYSA-N
MW495.50 g/mol
LogP3.67
Rot. Bonds8

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

2-oxo-N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-3H-1,3-benzoxazole-4-carboxamide (PubChem CID 171505059) has the molecular formula C27H21N5O5 and a molecular weight of 495.50 g/mol. Its IUPAC name is 2-oxo-N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-3H-1,3-benzoxazole-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-3H-1,3-benzoxazole-4-carboxamide
PubChem CID171505059
Molecular FormulaC27H21N5O5
Molecular Weight495.50 g/mol
Exact Mass495.15
IUPAC Name2-oxo-N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-3H-1,3-benzoxazole-4-carboxamide
SMILESO=C(NCc1ccnc(NC(=O)c2cccc3oc(=O)[nH]c23)c1)c1ncccc1OCc1ccccc1
InChIInChI=1S/C27H21N5O5/c33-25(19-8-4-9-21-23(19)32-27(35)37-21)31-22-14-18(11-13-28-22)15-30-26(34)24-20(10-5-12-29-24)36-16-17-6-2-1-3-7-17/h1-14H,15-16H2,(H,30,34)(H,32,35)(H,28,31,33)
InChIKeyBJNRRLSEJWMGJS-UHFFFAOYSA-N
XLogP3.67
TPSA139.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.50
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-oxo-N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-3H-1,3-benzoxazole-4-carboxamide with MolForge

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Related Compounds

N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 171504927
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
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
2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46469673
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-[(2-phenylmethoxy-4-pyridinyl)methyl]furan-3-carboxamide
CID 46475605
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 47057026

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-3H-1,3-benzoxazole-4-carboxamide?
The IUPAC name of 2-oxo-N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-3H-1,3-benzoxazole-4-carboxamide (CID 171505059) is 2-oxo-N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-3H-1,3-benzoxazole-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-3H-1,3-benzoxazole-4-carboxamide?
The canonical SMILES for 2-oxo-N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-3H-1,3-benzoxazole-4-carboxamide is O=C(NCc1ccnc(NC(=O)c2cccc3oc(=O)[nH]c23)c1)c1ncccc1OCc1ccccc1.
What is the InChIKey of 2-oxo-N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-3H-1,3-benzoxazole-4-carboxamide?
The InChIKey is BJNRRLSEJWMGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O5/c33-25(19-8-4-9-21-23(19)32-27(35)37-21)31-22-14-18(11-13-28-22)15-30-26(34)24-20(10-5-12-29-24)36-16-17-6-2-1-3-7-17/h1-14H,15-16H2,(H,30,34)(H,32,35)(H,28,31,33).
What are the key properties of 2-oxo-N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-3H-1,3-benzoxazole-4-carboxamide?
2-oxo-N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-3H-1,3-benzoxazole-4-carboxamide has a molecular weight of 495.50 g/mol, XLogP of 3.67, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[4-[[(3-phenylmethoxypyridine-2-carbonyl)amino]methyl]-2-pyridinyl]-3H-1,3-benzoxazole-4-carboxamide is sourced from PubChem (CID 171505059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).