N-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1-methyl-6-oxopyridine-3-carboxamide

C16H14FN5O2 — CID 75452546

IUPACN-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2n[nH]c(Cc3ccc(F)cc3)n2)ccc1=O
InChIInChI=1S/C16H14FN5O2/c1-22-9-11(4-7-14(22)23)15(24)19-16-18-13(20-21-16)8-10-2-5-12(17)6-3-10/h2-7,9H,8H2,1H3,(H2,18,19,20,21,24)
InChIKeyAZCRCYIZYBVINB-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.49
Rot. Bonds4

About N-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1-methyl-6-oxopyridine-3-carboxamide

N-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 75452546) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID75452546
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2n[nH]c(Cc3ccc(F)cc3)n2)ccc1=O
InChIInChI=1S/C16H14FN5O2/c1-22-9-11(4-7-14(22)23)15(24)19-16-18-13(20-21-16)8-10-2-5-12(17)6-3-10/h2-7,9H,8H2,1H3,(H2,18,19,20,21,24)
InChIKeyAZCRCYIZYBVINB-UHFFFAOYSA-N
XLogP1.49
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1-methyl-6-oxopyridine-3-carboxamide (CID 75452546) is N-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)Nc2n[nH]c(Cc3ccc(F)cc3)n2)ccc1=O.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is AZCRCYIZYBVINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-22-9-11(4-7-14(22)23)15(24)19-16-18-13(20-21-16)8-10-2-5-12(17)6-3-10/h2-7,9H,8H2,1H3,(H2,18,19,20,21,24).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 327.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 75452546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).