1-[(2,5-dimethylphenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide

C18H17N3O3 — CID 7598693

IUPAC1-[(2,5-dimethylphenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C)c(Cn2cccc(C(=O)Nc3ccon3)c2=O)c1
InChIInChI=1S/C18H17N3O3/c1-12-5-6-13(2)14(10-12)11-21-8-3-4-15(18(21)23)17(22)19-16-7-9-24-20-16/h3-10H,11H2,1-2H3,(H,19,20,22)
InChIKeyDUNDQGKWMVBQRG-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.75
Rot. Bonds4

About 1-[(2,5-dimethylphenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide

1-[(2,5-dimethylphenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide (PubChem CID 7598693) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide
PubChem CID7598693
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C)c(Cn2cccc(C(=O)Nc3ccon3)c2=O)c1
InChIInChI=1S/C18H17N3O3/c1-12-5-6-13(2)14(10-12)11-21-8-3-4-15(18(21)23)17(22)19-16-7-9-24-20-16/h3-10H,11H2,1-2H3,(H,19,20,22)
InChIKeyDUNDQGKWMVBQRG-UHFFFAOYSA-N
XLogP2.75
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide (CID 7598693) is 1-[(2,5-dimethylphenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide is Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccon3)c2=O)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide?
The InChIKey is DUNDQGKWMVBQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-5-6-13(2)14(10-12)11-21-8-3-4-15(18(21)23)17(22)19-16-7-9-24-20-16/h3-10H,11H2,1-2H3,(H,19,20,22).
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide?
1-[(2,5-dimethylphenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7598693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).