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

C17H14ClN3O3 — CID 7599144

IUPAC1-[(3-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)no1
InChIInChI=1S/C17H14ClN3O3/c1-11-8-15(20-24-11)19-16(22)14-6-3-7-21(17(14)23)10-12-4-2-5-13(18)9-12/h2-9H,10H2,1H3,(H,19,20,22)
InChIKeyHRHANHLNCXIZHE-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.10
Rot. Bonds4

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

1-[(3-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide (PubChem CID 7599144) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide
PubChem CID7599144
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name1-[(3-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)no1
InChIInChI=1S/C17H14ClN3O3/c1-11-8-15(20-24-11)19-16(22)14-6-3-7-21(17(14)23)10-12-4-2-5-13(18)9-12/h2-9H,10H2,1H3,(H,19,20,22)
InChIKeyHRHANHLNCXIZHE-UHFFFAOYSA-N
XLogP3.10
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide (CID 7599144) is 1-[(3-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide is Cc1cc(NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)no1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide?
The InChIKey is HRHANHLNCXIZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-11-8-15(20-24-11)19-16(22)14-6-3-7-21(17(14)23)10-12-4-2-5-13(18)9-12/h2-9H,10H2,1H3,(H,19,20,22).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide?
1-[(3-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide has a molecular weight of 343.77 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7599144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).