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

C17H16FN5O — CID 90647997

IUPAC3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide
SMILESO=C(NC(CCn1cncn1)c1ccccc1)c1ccncc1F
InChIInChI=1S/C17H16FN5O/c18-15-10-19-8-6-14(15)17(24)22-16(13-4-2-1-3-5-13)7-9-23-12-20-11-21-23/h1-6,8,10-12,16H,7,9H2,(H,22,24)
InChIKeyQWWYTOVLHWONLI-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.37
Rot. Bonds6

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

3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide (PubChem CID 90647997) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide
PubChem CID90647997
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide
SMILESO=C(NC(CCn1cncn1)c1ccccc1)c1ccncc1F
InChIInChI=1S/C17H16FN5O/c18-15-10-19-8-6-14(15)17(24)22-16(13-4-2-1-3-5-13)7-9-23-12-20-11-21-23/h1-6,8,10-12,16H,7,9H2,(H,22,24)
InChIKeyQWWYTOVLHWONLI-UHFFFAOYSA-N
XLogP2.37
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364
7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 99995548
N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 138809256
N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 99992535
3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide
CID 125447618
2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 99999473
N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 97140479
2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 90652831
N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146041158
2-phenyl-4-(1,2,4-triazol-1-yl)butanoate
CID 19095984
2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 99974724
3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 43211205

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide (CID 90647997) is 3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide is O=C(NC(CCn1cncn1)c1ccccc1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide?
The InChIKey is QWWYTOVLHWONLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-15-10-19-8-6-14(15)17(24)22-16(13-4-2-1-3-5-13)7-9-23-12-20-11-21-23/h1-6,8,10-12,16H,7,9H2,(H,22,24).
What are the key properties of 3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide?
3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide has a molecular weight of 325.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 90647997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).