N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxopyridine-4-carboxamide

C15H12ClN5O2 — CID 75369484

IUPACN-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1=O
InChIInChI=1S/C15H12ClN5O2/c1-21-7-6-10(8-12(21)22)14(23)18-15-17-13(19-20-15)9-2-4-11(16)5-3-9/h2-8H,1H3,(H2,17,18,19,20,23)
InChIKeySFBUTTPZRVYXHY-UHFFFAOYSA-N
MW329.75 g/mol
LogP2.08
Rot. Bonds3

About N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxopyridine-4-carboxamide

N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 75369484) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID75369484
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC NameN-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1=O
InChIInChI=1S/C15H12ClN5O2/c1-21-7-6-10(8-12(21)22)14(23)18-15-17-13(19-20-15)9-2-4-11(16)5-3-9/h2-8H,1H3,(H2,17,18,19,20,23)
InChIKeySFBUTTPZRVYXHY-UHFFFAOYSA-N
XLogP2.08
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxopyridine-4-carboxamide (CID 75369484) is N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1=O.
What is the InChIKey of N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is SFBUTTPZRVYXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c1-21-7-6-10(8-12(21)22)14(23)18-15-17-13(19-20-15)9-2-4-11(16)5-3-9/h2-8H,1H3,(H2,17,18,19,20,23).
What are the key properties of N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 329.75 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 75369484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).