1-cyclopropyl-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methyl-4-oxopyridine-3-carboxamide

C18H23N3O3 — CID 164632326

IUPAC1-cyclopropyl-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methyl-4-oxopyridine-3-carboxamide
SMILESCC[C@H](NC(=O)c1cn(C2CC2)c(C)cc1=O)c1c(C)noc1C
InChIInChI=1S/C18H23N3O3/c1-5-15(17-11(3)20-24-12(17)4)19-18(23)14-9-21(13-6-7-13)10(2)8-16(14)22/h8-9,13,15H,5-7H2,1-4H3,(H,19,23)/t15-/m0/s1
InChIKeyMAOUFYWSZRDFPY-HNNXBMFYSA-N
MW329.40 g/mol
LogP2.98
Rot. Bonds5

About 1-cyclopropyl-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methyl-4-oxopyridine-3-carboxamide

1-cyclopropyl-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methyl-4-oxopyridine-3-carboxamide (PubChem CID 164632326) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methyl-4-oxopyridine-3-carboxamide
PubChem CID164632326
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-cyclopropyl-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methyl-4-oxopyridine-3-carboxamide
SMILESCC[C@H](NC(=O)c1cn(C2CC2)c(C)cc1=O)c1c(C)noc1C
InChIInChI=1S/C18H23N3O3/c1-5-15(17-11(3)20-24-12(17)4)19-18(23)14-9-21(13-6-7-13)10(2)8-16(14)22/h8-9,13,15H,5-7H2,1-4H3,(H,19,23)/t15-/m0/s1
InChIKeyMAOUFYWSZRDFPY-HNNXBMFYSA-N
XLogP2.98
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methyl-4-oxopyridine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methyl-4-oxopyridine-3-carboxamide (CID 164632326) is 1-cyclopropyl-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methyl-4-oxopyridine-3-carboxamide is CC[C@H](NC(=O)c1cn(C2CC2)c(C)cc1=O)c1c(C)noc1C.
What is the InChIKey of 1-cyclopropyl-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methyl-4-oxopyridine-3-carboxamide?
The InChIKey is MAOUFYWSZRDFPY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-5-15(17-11(3)20-24-12(17)4)19-18(23)14-9-21(13-6-7-13)10(2)8-16(14)22/h8-9,13,15H,5-7H2,1-4H3,(H,19,23)/t15-/m0/s1.
What are the key properties of 1-cyclopropyl-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methyl-4-oxopyridine-3-carboxamide?
1-cyclopropyl-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methyl-4-oxopyridine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 164632326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).