N-(2-methoxyethyl)-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C24H27N3O3 — CID 42484940

IUPACN-(2-methoxyethyl)-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(CCc2ccccc2)n(Cc2ccccn2)c(C)cc1=O
InChIInChI=1S/C24H27N3O3/c1-18-16-22(28)23(24(29)26-14-15-30-2)21(12-11-19-8-4-3-5-9-19)27(18)17-20-10-6-7-13-25-20/h3-10,13,16H,11-12,14-15,17H2,1-2H3,(H,26,29)
InChIKeyBZROISZCADWGFX-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.76
Rot. Bonds9

About N-(2-methoxyethyl)-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide

N-(2-methoxyethyl)-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 42484940) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID42484940
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-(2-methoxyethyl)-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(CCc2ccccc2)n(Cc2ccccn2)c(C)cc1=O
InChIInChI=1S/C24H27N3O3/c1-18-16-22(28)23(24(29)26-14-15-30-2)21(12-11-19-8-4-3-5-9-19)27(18)17-20-10-6-7-13-25-20/h3-10,13,16H,11-12,14-15,17H2,1-2H3,(H,26,29)
InChIKeyBZROISZCADWGFX-UHFFFAOYSA-N
XLogP2.76
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 26337612
6-methyl-4-oxo-2-(2-phenylethyl)-N-propan-2-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 42472455
2-(methoxymethyl)-6-methyl-4-oxo-1-(3-phenylpropyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 26344453
6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 45235668
6-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridin-4-one
CID 42483316
2-ethyl-1-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 42433021
N-(furan-2-ylmethyl)-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 118756559
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 42484125
6-methyl-2-[(2-methylphenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 42407329
N-(2-chlorophenyl)-6-methyl-2-(2-methylpropyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 23040152
methyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate
CID 11608760
N-(2-methoxyethyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034393

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 42484940) is N-(2-methoxyethyl)-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide is COCCNC(=O)c1c(CCc2ccccc2)n(Cc2ccccn2)c(C)cc1=O.
What is the InChIKey of N-(2-methoxyethyl)-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is BZROISZCADWGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-18-16-22(28)23(24(29)26-14-15-30-2)21(12-11-19-8-4-3-5-9-19)27(18)17-20-10-6-7-13-25-20/h3-10,13,16H,11-12,14-15,17H2,1-2H3,(H,26,29).
What are the key properties of N-(2-methoxyethyl)-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
N-(2-methoxyethyl)-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42484940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).