2-[[1-benzyl-4-hydroxy-5-(naphthalen-1-ylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid

C26H21N3O6 — CID 58238083

IUPAC2-[[1-benzyl-4-hydroxy-5-(naphthalen-1-ylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(C(=O)Nc2cccc3ccccc23)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C26H21N3O6/c30-21(31)13-27-25(34)22-23(32)19(15-29(26(22)35)14-16-7-2-1-3-8-16)24(33)28-20-12-6-10-17-9-4-5-11-18(17)20/h1-12,15,32H,13-14H2,(H,27,34)(H,28,33)(H,30,31)
InChIKeyIWMXIPJVRMDNMC-UHFFFAOYSA-N
MW471.47 g/mol
LogP2.82
Rot. Bonds7

About 2-[[1-benzyl-4-hydroxy-5-(naphthalen-1-ylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid

2-[[1-benzyl-4-hydroxy-5-(naphthalen-1-ylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid (PubChem CID 58238083) has the molecular formula C26H21N3O6 and a molecular weight of 471.47 g/mol. Its IUPAC name is 2-[[1-benzyl-4-hydroxy-5-(naphthalen-1-ylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-benzyl-4-hydroxy-5-(naphthalen-1-ylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid
PubChem CID58238083
Molecular FormulaC26H21N3O6
Molecular Weight471.47 g/mol
Exact Mass471.14
IUPAC Name2-[[1-benzyl-4-hydroxy-5-(naphthalen-1-ylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(C(=O)Nc2cccc3ccccc23)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C26H21N3O6/c30-21(31)13-27-25(34)22-23(32)19(15-29(26(22)35)14-16-7-2-1-3-8-16)24(33)28-20-12-6-10-17-9-4-5-11-18(17)20/h1-12,15,32H,13-14H2,(H,27,34)(H,28,33)(H,30,31)
InChIKeyIWMXIPJVRMDNMC-UHFFFAOYSA-N
XLogP2.82
TPSA137.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.47
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-benzyl-4,6,7-trihydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 54685179
2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
CID 54749146
2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-4-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonyl]amino]acetic acid
CID 58238058
2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid
CID 54741193
2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid
CID 54738396
2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid
CID 67086352
2-(naphthalen-1-ylcarbamoyl)benzoic acid
CID 67617466
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-phenylacetamide
CID 24637856
1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide
CID 24661406
2-[(13-benzyl-10-hydroxy-12-oxo-1,6,8,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid
CID 87262978
1-benzyl-N-(1H-indol-4-yl)-2-oxopyridine-3-carboxamide
CID 71934158
2-[[1-benzyl-2-(2,6-dichlorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928996

Frequently Asked Questions

What is the IUPAC name of 2-[[1-benzyl-4-hydroxy-5-(naphthalen-1-ylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-benzyl-4-hydroxy-5-(naphthalen-1-ylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid (CID 58238083) is 2-[[1-benzyl-4-hydroxy-5-(naphthalen-1-ylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-benzyl-4-hydroxy-5-(naphthalen-1-ylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-benzyl-4-hydroxy-5-(naphthalen-1-ylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)c(C(=O)Nc2cccc3ccccc23)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 2-[[1-benzyl-4-hydroxy-5-(naphthalen-1-ylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid?
The InChIKey is IWMXIPJVRMDNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O6/c30-21(31)13-27-25(34)22-23(32)19(15-29(26(22)35)14-16-7-2-1-3-8-16)24(33)28-20-12-6-10-17-9-4-5-11-18(17)20/h1-12,15,32H,13-14H2,(H,27,34)(H,28,33)(H,30,31).
What are the key properties of 2-[[1-benzyl-4-hydroxy-5-(naphthalen-1-ylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid?
2-[[1-benzyl-4-hydroxy-5-(naphthalen-1-ylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid has a molecular weight of 471.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-benzyl-4-hydroxy-5-(naphthalen-1-ylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 58238083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).