N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(6-fluoro-5-methyl-3-pyridinyl)pyridine-2-carboxamide

C23H19FN6O — CID 58103075

IUPACN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(6-fluoro-5-methyl-3-pyridinyl)pyridine-2-carboxamide
SMILESCc1cc(-c2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)c3)c2)cnc1F
InChIInChI=1S/C23H19FN6O/c1-14-9-17(12-26-21(14)24)15-7-8-25-20(11-15)23(31)28-18-4-2-3-16(10-18)22-29-27-13-30(22)19-5-6-19/h2-4,7-13,19H,5-6H2,1H3,(H,28,31)
InChIKeyJVULQTVUMUMRAP-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.44
Rot. Bonds5

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

N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(6-fluoro-5-methyl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 58103075) has the molecular formula C23H19FN6O and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(6-fluoro-5-methyl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(6-fluoro-5-methyl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID58103075
Molecular FormulaC23H19FN6O
Molecular Weight414.44 g/mol
Exact Mass414.16
IUPAC NameN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(6-fluoro-5-methyl-3-pyridinyl)pyridine-2-carboxamide
SMILESCc1cc(-c2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)c3)c2)cnc1F
InChIInChI=1S/C23H19FN6O/c1-14-9-17(12-26-21(14)24)15-7-8-25-20(11-15)23(31)28-18-4-2-3-16(10-18)22-29-27-13-30(22)19-5-6-19/h2-4,7-13,19H,5-6H2,1H3,(H,28,31)
InChIKeyJVULQTVUMUMRAP-UHFFFAOYSA-N
XLogP4.44
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(6-fluoro-5-methyl-3-pyridinyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(6-fluoro-5-methyl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(6-fluoro-5-methyl-3-pyridinyl)pyridine-2-carboxamide (CID 58103075) is N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(6-fluoro-5-methyl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(6-fluoro-5-methyl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(6-fluoro-5-methyl-3-pyridinyl)pyridine-2-carboxamide is Cc1cc(-c2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)c3)c2)cnc1F.
What is the InChIKey of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(6-fluoro-5-methyl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is JVULQTVUMUMRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O/c1-14-9-17(12-26-21(14)24)15-7-8-25-20(11-15)23(31)28-18-4-2-3-16(10-18)22-29-27-13-30(22)19-5-6-19/h2-4,7-13,19H,5-6H2,1H3,(H,28,31).
What are the key properties of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(6-fluoro-5-methyl-3-pyridinyl)pyridine-2-carboxamide?
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(6-fluoro-5-methyl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(6-fluoro-5-methyl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 58103075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).