N-butyl-5-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-4-oxopyridine-3-carboxamide

C27H37N3O4 — CID 42463209

IUPACN-butyl-5-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-4-oxopyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cn(Cc2cccc(OC)c2)cc(C(=O)N2CCCC[C@H]2CC)c1=O
InChIInChI=1S/C27H37N3O4/c1-5-7-14-28(3)26(32)23-18-29(17-20-11-10-13-22(16-20)34-4)19-24(25(23)31)27(33)30-15-9-8-12-21(30)6-2/h10-11,13,16,18-19,21H,5-9,12,14-15,17H2,1-4H3/t21-/m1/s1
InChIKeyVKWZFVQCIZMHGC-OAQYLSRUSA-N
MW467.61 g/mol
LogP4.18
Rot. Bonds9

About N-butyl-5-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-4-oxopyridine-3-carboxamide

N-butyl-5-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-4-oxopyridine-3-carboxamide (PubChem CID 42463209) has the molecular formula C27H37N3O4 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-butyl-5-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-4-oxopyridine-3-carboxamide
PubChem CID42463209
Molecular FormulaC27H37N3O4
Molecular Weight467.61 g/mol
Exact Mass467.28
IUPAC NameN-butyl-5-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-4-oxopyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cn(Cc2cccc(OC)c2)cc(C(=O)N2CCCC[C@H]2CC)c1=O
InChIInChI=1S/C27H37N3O4/c1-5-7-14-28(3)26(32)23-18-29(17-20-11-10-13-22(16-20)34-4)19-24(25(23)31)27(33)30-15-9-8-12-21(30)6-2/h10-11,13,16,18-19,21H,5-9,12,14-15,17H2,1-4H3/t21-/m1/s1
InChIKeyVKWZFVQCIZMHGC-OAQYLSRUSA-N
XLogP4.18
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butyl-5-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-4-oxopyridine-3-carboxamide with MolForge

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Related Compounds

5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 42378176
1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26279029
methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 62028081
3-methoxy-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]benzamide
CID 29055690
3-methoxy-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide
CID 29055686
5-[(1R,4S)-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-[(3-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-4-oxopyridine-3-carboxamide
CID 26339560
(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 683288
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide
CID 113128945
(2-ethylpiperidin-1-yl)-[5-[2-(3-methoxyphenyl)ethylamino]pyrazin-2-yl]methanone
CID 109284789
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 43421553
3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one
CID 166187773
5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-4-oxopyridine-3-carboxamide?
The IUPAC name of N-butyl-5-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-4-oxopyridine-3-carboxamide (CID 42463209) is N-butyl-5-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-butyl-5-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-butyl-5-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-4-oxopyridine-3-carboxamide is CCCCN(C)C(=O)c1cn(Cc2cccc(OC)c2)cc(C(=O)N2CCCC[C@H]2CC)c1=O.
What is the InChIKey of N-butyl-5-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-4-oxopyridine-3-carboxamide?
The InChIKey is VKWZFVQCIZMHGC-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H37N3O4/c1-5-7-14-28(3)26(32)23-18-29(17-20-11-10-13-22(16-20)34-4)19-24(25(23)31)27(33)30-15-9-8-12-21(30)6-2/h10-11,13,16,18-19,21H,5-9,12,14-15,17H2,1-4H3/t21-/m1/s1.
What are the key properties of N-butyl-5-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-4-oxopyridine-3-carboxamide?
N-butyl-5-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-4-oxopyridine-3-carboxamide has a molecular weight of 467.61 g/mol, XLogP of 4.18, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 42463209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).