3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide

C15H12FN3O — CID 66483084

IUPAC3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide
SMILESNCC#Cc1cnccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H12FN3O/c16-12-3-5-13(6-4-12)19-15(20)14-7-9-18-10-11(14)2-1-8-17/h3-7,9-10H,8,17H2,(H,19,20)
InChIKeyGKBZMYCRTBZIGK-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.78
Rot. Bonds2

About 3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide

3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide (PubChem CID 66483084) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide
PubChem CID66483084
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide
SMILESNCC#Cc1cnccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H12FN3O/c16-12-3-5-13(6-4-12)19-15(20)14-7-9-18-10-11(14)2-1-8-17/h3-7,9-10H,8,17H2,(H,19,20)
InChIKeyGKBZMYCRTBZIGK-UHFFFAOYSA-N
XLogP1.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66483281
3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 66482898
3-(3-aminoprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 66484078
3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide
CID 66483862
N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66482247
3-(3-hydroxyprop-1-ynyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 66484003
N-(4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110858696
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 66481909
2-[[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]amino]ethyl carbamate
CID 83203212
N-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484973
3-(3-aminoprop-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 66484649
3-(3-aminoprop-1-ynyl)-N-(2-cyclopropylethyl)pyridine-4-carboxamide
CID 66473056

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide (CID 66483084) is 3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide is NCC#Cc1cnccc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide?
The InChIKey is GKBZMYCRTBZIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-12-3-5-13(6-4-12)19-15(20)14-7-9-18-10-11(14)2-1-8-17/h3-7,9-10H,8,17H2,(H,19,20).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide has a molecular weight of 269.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 66483084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).