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

C25H21FN6O — CID 58102997

IUPAC4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)c1F)c1cc(-c2ccc(C3CC3)nc2)ccn1
InChIInChI=1S/C25H21FN6O/c26-23-19(24-31-29-14-32(24)18-7-8-18)2-1-3-21(23)30-25(33)22-12-16(10-11-27-22)17-6-9-20(28-13-17)15-4-5-15/h1-3,6,9-15,18H,4-5,7-8H2,(H,30,33)
InChIKeyJCGCGDWQFBXIFS-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)-2-fluorophenyl]pyridine-2-carboxamide

4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]pyridine-2-carboxamide (PubChem CID 58102997) 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)-2-fluorophenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]pyridine-2-carboxamide
PubChem CID58102997
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)-2-fluorophenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)c1F)c1cc(-c2ccc(C3CC3)nc2)ccn1
InChIInChI=1S/C25H21FN6O/c26-23-19(24-31-29-14-32(24)18-7-8-18)2-1-3-21(23)30-25(33)22-12-16(10-11-27-22)17-6-9-20(28-13-17)15-4-5-15/h1-3,6,9-15,18H,4-5,7-8H2,(H,30,33)
InChIKeyJCGCGDWQFBXIFS-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)-2-fluorophenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]pyridine-2-carboxamide (CID 58102997) is 4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-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)-2-fluorophenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]pyridine-2-carboxamide is O=C(Nc1cccc(-c2nncn2C2CC2)c1F)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)-2-fluorophenyl]pyridine-2-carboxamide?
The InChIKey is JCGCGDWQFBXIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O/c26-23-19(24-31-29-14-32(24)18-7-8-18)2-1-3-21(23)30-25(33)22-12-16(10-11-27-22)17-6-9-20(28-13-17)15-4-5-15/h1-3,6,9-15,18H,4-5,7-8H2,(H,30,33).
What are the key properties of 4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]pyridine-2-carboxamide?
4-(6-cyclopropyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-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)-2-fluorophenyl]pyridine-2-carboxamide is sourced from PubChem (CID 58102997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).