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

C25H21FN6O — CID 58103007

IUPAC4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(-c2nncn2C2CC2)c1)c1cc(-c2ccc(C3CC3)nc2)ccn1
InChIInChI=1S/C25H21FN6O/c26-21-7-4-18(12-20(21)24-31-29-14-32(24)19-5-6-19)30-25(33)23-11-16(9-10-27-23)17-3-8-22(28-13-17)15-1-2-15/h3-4,7-15,19H,1-2,5-6H2,(H,30,33)
InChIKeyZWUQCUNTWFRCNU-UHFFFAOYSA-N
MW440.48 g/mol
LogP5.01
Rot. Bonds6

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

4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]pyridine-2-carboxamide (PubChem CID 58103007) has the molecular formula C25H21FN6O and a molecular weight of 440.48 g/mol. Its IUPAC name is 4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]pyridine-2-carboxamide
PubChem CID58103007
Molecular FormulaC25H21FN6O
Molecular Weight440.48 g/mol
Exact Mass440.18
IUPAC Name4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(-c2nncn2C2CC2)c1)c1cc(-c2ccc(C3CC3)nc2)ccn1
InChIInChI=1S/C25H21FN6O/c26-21-7-4-18(12-20(21)24-31-29-14-32(24)19-5-6-19)30-25(33)23-11-16(9-10-27-23)17-3-8-22(28-13-17)15-1-2-15/h3-4,7-15,19H,1-2,5-6H2,(H,30,33)
InChIKeyZWUQCUNTWFRCNU-UHFFFAOYSA-N
XLogP5.01
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]pyridine-2-carboxamide (CID 58103007) is 4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]pyridine-2-carboxamide is O=C(Nc1ccc(F)c(-c2nncn2C2CC2)c1)c1cc(-c2ccc(C3CC3)nc2)ccn1.
What is the InChIKey of 4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]pyridine-2-carboxamide?
The InChIKey is ZWUQCUNTWFRCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O/c26-21-7-4-18(12-20(21)24-31-29-14-32(24)19-5-6-19)30-25(33)23-11-16(9-10-27-23)17-3-8-22(28-13-17)15-1-2-15/h3-4,7-15,19H,1-2,5-6H2,(H,30,33).
What are the key properties of 4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]pyridine-2-carboxamide?
4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]pyridine-2-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]pyridine-2-carboxamide is sourced from PubChem (CID 58103007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).