N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide

C24H21FN6O — CID 146282502

IUPACN-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
SMILESCc1cccc(-c2nnc(C3CC(NC(=O)c4ccccn4)C3)n2-c2ccccc2F)n1
InChIInChI=1S/C24H21FN6O/c1-15-7-6-10-19(27-15)23-30-29-22(31(23)21-11-3-2-8-18(21)25)16-13-17(14-16)28-24(32)20-9-4-5-12-26-20/h2-12,16-17H,13-14H2,1H3,(H,28,32)
InChIKeyFAAVFGPJNCDFEN-UHFFFAOYSA-N
MW428.47 g/mol
LogP3.85
Rot. Bonds5

About N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide

N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (PubChem CID 146282502) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
PubChem CID146282502
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC NameN-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
SMILESCc1cccc(-c2nnc(C3CC(NC(=O)c4ccccn4)C3)n2-c2ccccc2F)n1
InChIInChI=1S/C24H21FN6O/c1-15-7-6-10-19(27-15)23-30-29-22(31(23)21-11-3-2-8-18(21)25)16-13-17(14-16)28-24(32)20-9-4-5-12-26-20/h2-12,16-17H,13-14H2,1H3,(H,28,32)
InChIKeyFAAVFGPJNCDFEN-UHFFFAOYSA-N
XLogP3.85
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (CID 146282502) is N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is Cc1cccc(-c2nnc(C3CC(NC(=O)c4ccccn4)C3)n2-c2ccccc2F)n1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The InChIKey is FAAVFGPJNCDFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c1-15-7-6-10-19(27-15)23-30-29-22(31(23)21-11-3-2-8-18(21)25)16-13-17(14-16)28-24(32)20-9-4-5-12-26-20/h2-12,16-17H,13-14H2,1H3,(H,28,32).
What are the key properties of N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 146282502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).