N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-4-pyridin-3-ylpyridine-2-carboxamide

C22H17FN6O — CID 58102936

IUPACN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-4-pyridin-3-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)c1F)c1cc(-c2cccnc2)ccn1
InChIInChI=1S/C22H17FN6O/c23-20-17(21-28-26-13-29(21)16-6-7-16)4-1-5-18(20)27-22(30)19-11-14(8-10-25-19)15-3-2-9-24-12-15/h1-5,8-13,16H,6-7H2,(H,27,30)
InChIKeyUZIRCFXJGVIITM-UHFFFAOYSA-N
MW400.42 g/mol
LogP4.13
Rot. Bonds5

About N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-4-pyridin-3-ylpyridine-2-carboxamide

N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-4-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 58102936) has the molecular formula C22H17FN6O and a molecular weight of 400.42 g/mol. Its IUPAC name is N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-4-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-4-pyridin-3-ylpyridine-2-carboxamide
PubChem CID58102936
Molecular FormulaC22H17FN6O
Molecular Weight400.42 g/mol
Exact Mass400.14
IUPAC NameN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-4-pyridin-3-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)c1F)c1cc(-c2cccnc2)ccn1
InChIInChI=1S/C22H17FN6O/c23-20-17(21-28-26-13-29(21)16-6-7-16)4-1-5-18(20)27-22(30)19-11-14(8-10-25-19)15-3-2-9-24-12-15/h1-5,8-13,16H,6-7H2,(H,27,30)
InChIKeyUZIRCFXJGVIITM-UHFFFAOYSA-N
XLogP4.13
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-4-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-4-pyridin-3-ylpyridine-2-carboxamide (CID 58102936) is N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-4-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-4-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-4-pyridin-3-ylpyridine-2-carboxamide is O=C(Nc1cccc(-c2nncn2C2CC2)c1F)c1cc(-c2cccnc2)ccn1.
What is the InChIKey of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-4-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is UZIRCFXJGVIITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O/c23-20-17(21-28-26-13-29(21)16-6-7-16)4-1-5-18(20)27-22(30)19-11-14(8-10-25-19)15-3-2-9-24-12-15/h1-5,8-13,16H,6-7H2,(H,27,30).
What are the key properties of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-4-pyridin-3-ylpyridine-2-carboxamide?
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-4-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 400.42 g/mol, XLogP of 4.13, 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)-2-fluorophenyl]-4-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 58102936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).