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

C25H21FN6O — CID 58103068

IUPAC4-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-c2cnc(C3CC3)c(F)c2)ccn1
InChIInChI=1S/C25H21FN6O/c26-21-11-18(13-28-23(21)15-4-5-15)16-8-9-27-22(12-16)25(33)30-19-3-1-2-17(10-19)24-31-29-14-32(24)20-6-7-20/h1-3,8-15,20H,4-7H2,(H,30,33)
InChIKeyIDDSYESOBQTNGY-UHFFFAOYSA-N
MW440.48 g/mol
LogP5.01
Rot. Bonds6

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

4-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (PubChem CID 58103068) has the molecular formula C25H21FN6O and a molecular weight of 440.48 g/mol. Its IUPAC name is 4-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
PubChem CID58103068
Molecular FormulaC25H21FN6O
Molecular Weight440.48 g/mol
Exact Mass440.18
IUPAC Name4-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-c2cnc(C3CC3)c(F)c2)ccn1
InChIInChI=1S/C25H21FN6O/c26-21-11-18(13-28-23(21)15-4-5-15)16-8-9-27-22(12-16)25(33)30-19-3-1-2-17(10-19)24-31-29-14-32(24)20-6-7-20/h1-3,8-15,20H,4-7H2,(H,30,33)
InChIKeyIDDSYESOBQTNGY-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-5-fluoro-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (CID 58103068) is 4-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-c2cnc(C3CC3)c(F)c2)ccn1.
What is the InChIKey of 4-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is IDDSYESOBQTNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O/c26-21-11-18(13-28-23(21)15-4-5-15)16-8-9-27-22(12-16)25(33)30-19-3-1-2-17(10-19)24-31-29-14-32(24)20-6-7-20/h1-3,8-15,20H,4-7H2,(H,30,33).
What are the key properties of 4-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
4-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]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-5-fluoro-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 58103068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).