5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide

C30H28N2O5 — CID 2401598

IUPAC5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide
SMILESCOc1ccc(O)c(C(=O)c2cc(C(=O)NCCc3ccccc3)c(=O)n(CCc3ccccc3)c2)c1
InChIInChI=1S/C30H28N2O5/c1-37-24-12-13-27(33)25(19-24)28(34)23-18-26(29(35)31-16-14-21-8-4-2-5-9-21)30(36)32(20-23)17-15-22-10-6-3-7-11-22/h2-13,18-20,33H,14-17H2,1H3,(H,31,35)
InChIKeyJWWJZOOPMCFRLZ-UHFFFAOYSA-N
MW496.56 g/mol
LogP4.01
Rot. Bonds10

About 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide

5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 2401598) has the molecular formula C30H28N2O5 and a molecular weight of 496.56 g/mol. Its IUPAC name is 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide
PubChem CID2401598
Molecular FormulaC30H28N2O5
Molecular Weight496.56 g/mol
Exact Mass496.20
IUPAC Name5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide
SMILESCOc1ccc(O)c(C(=O)c2cc(C(=O)NCCc3ccccc3)c(=O)n(CCc3ccccc3)c2)c1
InChIInChI=1S/C30H28N2O5/c1-37-24-12-13-27(33)25(19-24)28(34)23-18-26(29(35)31-16-14-21-8-4-2-5-9-21)30(36)32(20-23)17-15-22-10-6-3-7-11-22/h2-13,18-20,33H,14-17H2,1H3,(H,31,35)
InChIKeyJWWJZOOPMCFRLZ-UHFFFAOYSA-N
XLogP4.01
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,5-dimethoxyphenyl)-4-oxobutanamide
CID 44581360
(S)-3-(4-(2,5-dimethoxyphenyl)-4-oxobutanamido)-N-(4-methoxyphenethyl)-2-oxo-4-phenylbutanamide
CID 44581412
N,1-dicyclohexyl-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carboxamide
CID 2377988
5-(2-hydroxy-5-methylbenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide
CID 2432028
5-(5-chloro-2-hydroxybenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide
CID 3950334
5-[2-(2,5-Dimethoxy-phenyl)-ethyl]-N-[2-(4-fluoro-phenyl)-ethyl]-2-hydroxy-benzamide
CID 9979704
N-[3-[4-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]butylamino]propyl]-2,5-dimethoxybenzamide
CID 73347888
N-[3-[12-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]dodecylamino]propyl]-2,5-dimethoxybenzamide
CID 73350985
1-N,4-N-bis[4-[ethyl-[(2-methoxyphenyl)methyl]amino]butyl]-2,5-dihydroxybenzene-1,4-dicarboxamide
CID 155510374
1-N,4-N-bis[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]-2,5-dihydroxybenzene-1,4-dicarboxamide
CID 155559099
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methoxy-4-oxochromene-3-carboxamide
CID 162675988
(S)-N-benzyl-3-(4-(2,5-dimethoxyphenyl)-4-oxobutanamido)-2-oxo-4-phenylbutanamide
CID 44581322

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide (CID 2401598) is 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide is COc1ccc(O)c(C(=O)c2cc(C(=O)NCCc3ccccc3)c(=O)n(CCc3ccccc3)c2)c1.
What is the InChIKey of 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is JWWJZOOPMCFRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O5/c1-37-24-12-13-27(33)25(19-24)28(34)23-18-26(29(35)31-16-14-21-8-4-2-5-9-21)30(36)32(20-23)17-15-22-10-6-3-7-11-22/h2-13,18-20,33H,14-17H2,1H3,(H,31,35).
What are the key properties of 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide?
5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 496.56 g/mol, XLogP of 4.01, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2401598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).