5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide

C26H35N3O4 — CID 42471896

IUPAC5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide
SMILESCOc1ccccc1Cn1cc(C(=O)NCCC(C)C)c(=O)c(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C26H35N3O4/c1-19(2)12-13-27-25(31)21-17-28(16-20-10-6-7-11-23(20)33-3)18-22(24(21)30)26(32)29-14-8-4-5-9-15-29/h6-7,10-11,17-19H,4-5,8-9,12-16H2,1-3H3,(H,27,31)
InChIKeyOHRKNFGFVFMJCR-UHFFFAOYSA-N
MW453.58 g/mol
LogP3.70
Rot. Bonds8

About 5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide

5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide (PubChem CID 42471896) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is 5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide
PubChem CID42471896
Molecular FormulaC26H35N3O4
Molecular Weight453.58 g/mol
Exact Mass453.26
IUPAC Name5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide
SMILESCOc1ccccc1Cn1cc(C(=O)NCCC(C)C)c(=O)c(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C26H35N3O4/c1-19(2)12-13-27-25(31)21-17-28(16-20-10-6-7-11-23(20)33-3)18-22(24(21)30)26(32)29-14-8-4-5-9-15-29/h6-7,10-11,17-19H,4-5,8-9,12-16H2,1-3H3,(H,27,31)
InChIKeyOHRKNFGFVFMJCR-UHFFFAOYSA-N
XLogP3.70
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate
CID 25290660
ethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate
CID 26359401
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(2-methylpropyl)-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 26340325
1-butan-2-yl-5-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 45176946
1-cyclopentyl-5-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 31054737
5-(azocane-1-carbonyl)-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide
CID 26333635
4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109047377
5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 26317211
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3-ethoxypropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 26323463
3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055466
5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-dicarboxamide
CID 26341265
N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051991

Frequently Asked Questions

What is the IUPAC name of 5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of 5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide (CID 42471896) is 5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for 5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide is COc1ccccc1Cn1cc(C(=O)NCCC(C)C)c(=O)c(C(=O)N2CCCCCC2)c1.
What is the InChIKey of 5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide?
The InChIKey is OHRKNFGFVFMJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4/c1-19(2)12-13-27-25(31)21-17-28(16-20-10-6-7-11-23(20)33-3)18-22(24(21)30)26(32)29-14-8-4-5-9-15-29/h6-7,10-11,17-19H,4-5,8-9,12-16H2,1-3H3,(H,27,31).
What are the key properties of 5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide?
5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide has a molecular weight of 453.58 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 42471896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).