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

C15H11F2N5O2 — CID 71864224

IUPACN-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2n[nH]c(-c3c(F)cccc3F)n2)c(=O)[nH]1
InChIInChI=1S/C15H11F2N5O2/c1-7-5-6-8(13(23)18-7)14(24)20-15-19-12(21-22-15)11-9(16)3-2-4-10(11)17/h2-6H,1H3,(H,18,23)(H2,19,20,21,22,24)
InChIKeySZCYJACAAGIXJO-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.00
Rot. Bonds3

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

N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 71864224) has the molecular formula C15H11F2N5O2 and a molecular weight of 331.28 g/mol. Its IUPAC name is N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID71864224
Molecular FormulaC15H11F2N5O2
Molecular Weight331.28 g/mol
Exact Mass331.09
IUPAC NameN-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2n[nH]c(-c3c(F)cccc3F)n2)c(=O)[nH]1
InChIInChI=1S/C15H11F2N5O2/c1-7-5-6-8(13(23)18-7)14(24)20-15-19-12(21-22-15)11-9(16)3-2-4-10(11)17/h2-6H,1H3,(H,18,23)(H2,19,20,21,22,24)
InChIKeySZCYJACAAGIXJO-UHFFFAOYSA-N
XLogP2.00
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide
CID 4247733
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CID 32460731
N-(5-Phenyl-1H-1,2,4-triazol-3-yl)butanamide
CID 20974734
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide
CID 40146390
N-(3,4-difluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168687
(E)-3-phenyl-N-(5-phenyl-4H-1,2,4-triazol-3-yl)prop-2-enamide
CID 57393950
(E)-N-(5-phenyl-4H-1,2,4-triazol-3-yl)-3-(p-tolyl)prop-2-enamide
CID 57400910
2-methyl-N~1~-(5-phenyl-4H-1,2,4-triazol-3-yl)propanamide
CID 32460569
N-(2,4-difluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168678
N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 56827446
N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 72108478
2-(5-amino-1H-1,2,4-triazol-3-yl)-N-(2-fluorobenzyl)acetamide
CID 131946125

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 71864224) is N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2n[nH]c(-c3c(F)cccc3F)n2)c(=O)[nH]1.
What is the InChIKey of N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SZCYJACAAGIXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N5O2/c1-7-5-6-8(13(23)18-7)14(24)20-15-19-12(21-22-15)11-9(16)3-2-4-10(11)17/h2-6H,1H3,(H,18,23)(H2,19,20,21,22,24).
What are the key properties of N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 331.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71864224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).