5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide

C18H21N3O3 — CID 129022652

IUPAC5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cc(C(=O)NC)c(=O)n(Cc2cccc(C)c2)c1
InChIInChI=1S/C18H21N3O3/c1-4-20-16(22)14-9-15(17(23)19-3)18(24)21(11-14)10-13-7-5-6-12(2)8-13/h5-9,11H,4,10H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyMFSZAVZIJWFJFW-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.31
Rot. Bonds5

About 5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide

5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide (PubChem CID 129022652) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
PubChem CID129022652
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cc(C(=O)NC)c(=O)n(Cc2cccc(C)c2)c1
InChIInChI=1S/C18H21N3O3/c1-4-20-16(22)14-9-15(17(23)19-3)18(24)21(11-14)10-13-7-5-6-12(2)8-13/h5-9,11H,4,10H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyMFSZAVZIJWFJFW-UHFFFAOYSA-N
XLogP1.31
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 145267575
N-methyl-5-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 160757758
3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid
CID 135341859
N-fluoromethanamine;5-formyl-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 145267435
N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide
CID 158142498
1-benzyl-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126675355
5-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648895
5-N-cyclopropyl-3-N-methyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 126676097
butyl 1-[(3-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylate
CID 126676042
1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide
CID 126721294
5-N-cyclopropyl-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538194
5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676868

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide (CID 129022652) is 5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide is CCNC(=O)c1cc(C(=O)NC)c(=O)n(Cc2cccc(C)c2)c1.
What is the InChIKey of 5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide?
The InChIKey is MFSZAVZIJWFJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-4-20-16(22)14-9-15(17(23)19-3)18(24)21(11-14)10-13-7-5-6-12(2)8-13/h5-9,11H,4,10H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide?
5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 129022652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).