N,1-dicyclohexyl-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carboxamide

C26H32N2O5 — CID 2377988

IUPACN,1-dicyclohexyl-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(O)c(C(=O)c2cc(C(=O)NC3CCCCC3)c(=O)n(C3CCCCC3)c2)c1
InChIInChI=1S/C26H32N2O5/c1-33-20-12-13-23(29)21(15-20)24(30)17-14-22(25(31)27-18-8-4-2-5-9-18)26(32)28(16-17)19-10-6-3-7-11-19/h12-16,18-19,29H,2-11H2,1H3,(H,27,31)
InChIKeyAJZAFXSZBAWCTQ-UHFFFAOYSA-N
MW452.55 g/mol
LogP4.36
Rot. Bonds6

About N,1-dicyclohexyl-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carboxamide

N,1-dicyclohexyl-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carboxamide (PubChem CID 2377988) has the molecular formula C26H32N2O5 and a molecular weight of 452.55 g/mol. Its IUPAC name is N,1-dicyclohexyl-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN,1-dicyclohexyl-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carboxamide
PubChem CID2377988
Molecular FormulaC26H32N2O5
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC NameN,1-dicyclohexyl-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(O)c(C(=O)c2cc(C(=O)NC3CCCCC3)c(=O)n(C3CCCCC3)c2)c1
InChIInChI=1S/C26H32N2O5/c1-33-20-12-13-23(29)21(15-20)24(30)17-14-22(25(31)27-18-8-4-2-5-9-18)26(32)28(16-17)19-10-6-3-7-11-19/h12-16,18-19,29H,2-11H2,1H3,(H,27,31)
InChIKeyAJZAFXSZBAWCTQ-UHFFFAOYSA-N
XLogP4.36
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide
CID 2401598
(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-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide
CID 2379333
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
(S)-N-benzyl-3-(4-(2,5-dimethoxyphenyl)-4-oxobutanamido)-2-oxo-4-phenylbutanamide
CID 44581322
(S)-3-(4-(2,5-dimethoxyphenyl)-4-oxobutanamido)-N-(4-methoxybenzyl)-2-oxo-4-phenylbutanamide
CID 44581387
(S)-3-(4-(2,5-dimethoxyphenyl)-4-oxobutanamido)-2-oxo-N-phenethyl-4-phenylbutanamide
CID 44581389
N-cyclohexyl-4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]benzamide
CID 46229079
1-Benzyl-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile
CID 2368057
5-[(2-hydroxy-5-methylphenyl)-oxomethyl]-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxo-3-pyridinecarboxamide
CID 2369153

Frequently Asked Questions

What is the IUPAC name of N,1-dicyclohexyl-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N,1-dicyclohexyl-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carboxamide (CID 2377988) is N,1-dicyclohexyl-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N,1-dicyclohexyl-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N,1-dicyclohexyl-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carboxamide is COc1ccc(O)c(C(=O)c2cc(C(=O)NC3CCCCC3)c(=O)n(C3CCCCC3)c2)c1.
What is the InChIKey of N,1-dicyclohexyl-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carboxamide?
The InChIKey is AJZAFXSZBAWCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O5/c1-33-20-12-13-23(29)21(15-20)24(30)17-14-22(25(31)27-18-8-4-2-5-9-18)26(32)28(16-17)19-10-6-3-7-11-19/h12-16,18-19,29H,2-11H2,1H3,(H,27,31).
What are the key properties of N,1-dicyclohexyl-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carboxamide?
N,1-dicyclohexyl-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carboxamide has a molecular weight of 452.55 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dicyclohexyl-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 2377988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).