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

C13H15N3O3 — CID 103717706

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2nc(C)c(C)o2)c[nH]1
InChIInChI=1S/C13H15N3O3/c1-7-4-11(17)10(5-14-7)13(18)15-6-12-16-8(2)9(3)19-12/h4-5H,6H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyDXJWKUQADUOOKW-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.22
Rot. Bonds3

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103717706) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103717706
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2nc(C)c(C)o2)c[nH]1
InChIInChI=1S/C13H15N3O3/c1-7-4-11(17)10(5-14-7)13(18)15-6-12-16-8(2)9(3)19-12/h4-5H,6H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyDXJWKUQADUOOKW-UHFFFAOYSA-N
XLogP1.22
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 103717706) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCc2nc(C)c(C)o2)c[nH]1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DXJWKUQADUOOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-7-4-11(17)10(5-14-7)13(18)15-6-12-16-8(2)9(3)19-12/h4-5H,6H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103717706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).