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

C22H17FN6O — CID 58102969

IUPACN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(5-fluoro-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-c2cncc(F)c2)ccn1
InChIInChI=1S/C22H17FN6O/c23-17-8-16(11-24-12-17)14-6-7-25-20(10-14)22(30)27-18-3-1-2-15(9-18)21-28-26-13-29(21)19-4-5-19/h1-3,6-13,19H,4-5H2,(H,27,30)
InChIKeyAPNDFXWFNYAUPK-UHFFFAOYSA-N
MW400.42 g/mol
LogP4.13
Rot. Bonds5

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

N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(5-fluoro-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 58102969) 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)phenyl]-4-(5-fluoro-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(5-fluoro-3-pyridinyl)pyridine-2-carboxamide
PubChem CID58102969
Molecular FormulaC22H17FN6O
Molecular Weight400.42 g/mol
Exact Mass400.14
IUPAC NameN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(5-fluoro-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-c2cncc(F)c2)ccn1
InChIInChI=1S/C22H17FN6O/c23-17-8-16(11-24-12-17)14-6-7-25-20(10-14)22(30)27-18-3-1-2-15(9-18)21-28-26-13-29(21)19-4-5-19/h1-3,6-13,19H,4-5H2,(H,27,30)
InChIKeyAPNDFXWFNYAUPK-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

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

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Related Compounds

Selonsertib
CID 71245288
3-(((4-Methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)methyl)amino)-N-(2-(trifluoromethyl)benzyl)benzamide
CID 11677079
Takeda103A
CID 11155477
N-Benzyl-3-({[5-(Pyridin-4-Yl)-4h-1,2,4-Triazol-3-Yl]methyl}amino)benzamide
CID 11494718
6-cyclopropyl-N-[1-(4-fluorophenyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328249
GS-444217
CID 57504987
US10774086, Example 30
CID 134551973
N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide
CID 58102999
Selective PI3Kdelta Inhibitor 1
CID 137661516
2-[(3,4-Difluorophenyl)methyl]-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 155566604
N-(2,4-difluorobenzyl)-N-((4-((5-cyanopyridin-2-yl)methyl)-4H-1,2,4-triazol-3-yl)methyl)quinoline-2-carboxamide
CID 10278364
N-[(2,6-difluorophenyl)methyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 11524891

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(5-fluoro-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(5-fluoro-3-pyridinyl)pyridine-2-carboxamide (CID 58102969) is N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(5-fluoro-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(5-fluoro-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(5-fluoro-3-pyridinyl)pyridine-2-carboxamide is O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-c2cncc(F)c2)ccn1.
What is the InChIKey of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(5-fluoro-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is APNDFXWFNYAUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O/c23-17-8-16(11-24-12-17)14-6-7-25-20(10-14)22(30)27-18-3-1-2-15(9-18)21-28-26-13-29(21)19-4-5-19/h1-3,6-13,19H,4-5H2,(H,27,30).
What are the key properties of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(5-fluoro-3-pyridinyl)pyridine-2-carboxamide?
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(5-fluoro-3-pyridinyl)pyridine-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)phenyl]-4-(5-fluoro-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 58102969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).