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

C20H23N3O3 — CID 139538107

IUPAC5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-(2-methylphenyl)ethyl]-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cn([C@@H](C)c2ccccc2C)c1=O
InChIInChI=1S/C20H23N3O3/c1-12-6-4-5-7-16(12)13(2)23-11-14(18(24)22-15-8-9-15)10-17(20(23)26)19(25)21-3/h4-7,10-11,13,15H,8-9H2,1-3H3,(H,21,25)(H,22,24)/t13-/m0/s1
InChIKeyLSQKFGPGHIGBFW-ZDUSSCGKSA-N
MW353.42 g/mol
LogP2.02
Rot. Bonds5

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

5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-(2-methylphenyl)ethyl]-2-oxopyridine-3,5-dicarboxamide (PubChem CID 139538107) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-(2-methylphenyl)ethyl]-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-(2-methylphenyl)ethyl]-2-oxopyridine-3,5-dicarboxamide
PubChem CID139538107
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-(2-methylphenyl)ethyl]-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cn([C@@H](C)c2ccccc2C)c1=O
InChIInChI=1S/C20H23N3O3/c1-12-6-4-5-7-16(12)13(2)23-11-14(18(24)22-15-8-9-15)10-17(20(23)26)19(25)21-3/h4-7,10-11,13,15H,8-9H2,1-3H3,(H,21,25)(H,22,24)/t13-/m0/s1
InChIKeyLSQKFGPGHIGBFW-ZDUSSCGKSA-N
XLogP2.02
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-cyclopropylacetyl)-N-methyl-1-[1-(2-methylphenyl)ethyl]-2-oxopyridine-3-carboxamide
CID 153186266
5-N-cyclopropyl-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538194
4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 139295953
5-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648895
5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538193
5-N-cyclopropyl-3-N-methyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 126676097
1-chloro-3-methyl-2-propan-2-ylbenzene;N-cyclopropyl-4-methyl-3-propan-2-ylbenzamide;N,4-dimethyl-3-propan-2-ylbenzamide
CID 158866268
5-N-cyclopropyl-3-N-methyl-1-[(2-methyl-1,3-benzoxazol-7-yl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 139538189
5-N-cyclobutyl-1-[(4-methoxy-3-methylphenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 135323934
5-N-cyclopropyl-3-N-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethyl)pyridine-3,5-dicarboxamide
CID 126648655
1-benzyl-N-cyclopropyl-5-(2-methylbutanoyl)-6-oxopyridine-3-carboxamide
CID 156853231
5-N-cyclopropyl-3-N-methyl-2-oxo-1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 135323828

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-(2-methylphenyl)ethyl]-2-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-(2-methylphenyl)ethyl]-2-oxopyridine-3,5-dicarboxamide (CID 139538107) is 5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-(2-methylphenyl)ethyl]-2-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-(2-methylphenyl)ethyl]-2-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-(2-methylphenyl)ethyl]-2-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CC2)cn([C@@H](C)c2ccccc2C)c1=O.
What is the InChIKey of 5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-(2-methylphenyl)ethyl]-2-oxopyridine-3,5-dicarboxamide?
The InChIKey is LSQKFGPGHIGBFW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12-6-4-5-7-16(12)13(2)23-11-14(18(24)22-15-8-9-15)10-17(20(23)26)19(25)21-3/h4-7,10-11,13,15H,8-9H2,1-3H3,(H,21,25)(H,22,24)/t13-/m0/s1.
What are the key properties of 5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-(2-methylphenyl)ethyl]-2-oxopyridine-3,5-dicarboxamide?
5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-(2-methylphenyl)ethyl]-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-(2-methylphenyl)ethyl]-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 139538107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).