2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide

C12H13N3O3 — CID 75395397

IUPAC2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)ccc1C(=O)NCc1ncoc1C
InChIInChI=1S/C12H13N3O3/c1-7-9(3-4-11(16)15-7)12(17)13-5-10-8(2)18-6-14-10/h3-4,6H,5H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyYYWDXVNSURDSTE-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.91
Rot. Bonds3

About 2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide

2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 75395397) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID75395397
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)ccc1C(=O)NCc1ncoc1C
InChIInChI=1S/C12H13N3O3/c1-7-9(3-4-11(16)15-7)12(17)13-5-10-8(2)18-6-14-10/h3-4,6H,5H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyYYWDXVNSURDSTE-UHFFFAOYSA-N
XLogP0.91
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 75387770
2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide
CID 130794359
N-[(1,5-dimethylindazol-3-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 122558835
1-(2,2-diphenylethyl)-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea
CID 84593941
1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 84599979
1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(1S,2S)-2-propan-2-ylcyclohexyl]urea
CID 97334233
N-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766123
2,3,4-trifluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide
CID 110671218
2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
CID 122150093
1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 97158340
N-[(5-methyl-1,3-oxazol-4-yl)methyl]propan-1-amine
CID 79145725
2-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide
CID 110671209

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 75395397) is 2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)ccc1C(=O)NCc1ncoc1C.
What is the InChIKey of 2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YYWDXVNSURDSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7-9(3-4-11(16)15-7)12(17)13-5-10-8(2)18-6-14-10/h3-4,6H,5H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 75395397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).