1-butyl-N-(2-chloro-1-phenylethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide

C21H27ClN2O2 — CID 23587830

IUPAC1-butyl-N-(2-chloro-1-phenylethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide
SMILESCCCCn1c(CC)c(C)cc(C(=O)NC(CCl)c2ccccc2)c1=O
InChIInChI=1S/C21H27ClN2O2/c1-4-6-12-24-19(5-2)15(3)13-17(21(24)26)20(25)23-18(14-22)16-10-8-7-9-11-16/h7-11,13,18H,4-6,12,14H2,1-3H3,(H,23,25)
InChIKeyGRFMSXOGVOCYBB-UHFFFAOYSA-N
MW374.91 g/mol
LogP4.23
Rot. Bonds8

About 1-butyl-N-(2-chloro-1-phenylethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide

1-butyl-N-(2-chloro-1-phenylethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide (PubChem CID 23587830) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 1-butyl-N-(2-chloro-1-phenylethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2-chloro-1-phenylethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide
PubChem CID23587830
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name1-butyl-N-(2-chloro-1-phenylethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide
SMILESCCCCn1c(CC)c(C)cc(C(=O)NC(CCl)c2ccccc2)c1=O
InChIInChI=1S/C21H27ClN2O2/c1-4-6-12-24-19(5-2)15(3)13-17(21(24)26)20(25)23-18(14-22)16-10-8-7-9-11-16/h7-11,13,18H,4-6,12,14H2,1-3H3,(H,23,25)
InChIKeyGRFMSXOGVOCYBB-UHFFFAOYSA-N
XLogP4.23
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-2,3-dimethylbutanoic acid
CID 150762523
N-(2-chloro-1-phenylethyl)-2-ethylbenzamide
CID 114300081
N-(2-chloro-1-phenylethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 114300138
(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 69474590
2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide
CID 106863896
1-butyl-5-ethyl-2-oxo-N-propan-2-yl-6-propylpyridine-3-carboxamide
CID 59718789
N-(2-chloro-1-phenylethyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114300222
N-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide
CID 82830175
N-(2-chloro-1-phenylethyl)-2-fluoro-4-methylbenzamide
CID 114300235
3-bromo-N-(2-chloro-1-phenylethyl)-4-methylbenzamide
CID 114300172
2-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-dimethylpentanoic acid
CID 69474466
N-(2-chloro-1-phenylethyl)octanamide
CID 113272309

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-chloro-1-phenylethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-butyl-N-(2-chloro-1-phenylethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide (CID 23587830) is 1-butyl-N-(2-chloro-1-phenylethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2-chloro-1-phenylethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2-chloro-1-phenylethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide is CCCCn1c(CC)c(C)cc(C(=O)NC(CCl)c2ccccc2)c1=O.
What is the InChIKey of 1-butyl-N-(2-chloro-1-phenylethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is GRFMSXOGVOCYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c1-4-6-12-24-19(5-2)15(3)13-17(21(24)26)20(25)23-18(14-22)16-10-8-7-9-11-16/h7-11,13,18H,4-6,12,14H2,1-3H3,(H,23,25).
What are the key properties of 1-butyl-N-(2-chloro-1-phenylethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide?
1-butyl-N-(2-chloro-1-phenylethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 374.91 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-chloro-1-phenylethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 23587830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).