3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide

C15H11ClFN3O — CID 66482898

IUPAC3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
SMILESNCC#Cc1cnccc1C(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C15H11ClFN3O/c16-12-4-1-5-13(14(12)17)20-15(21)11-6-8-19-9-10(11)3-2-7-18/h1,4-6,8-9H,7,18H2,(H,20,21)
InChIKeyQYDLNHGTWYNPFH-UHFFFAOYSA-N
MW303.72 g/mol
LogP2.44
Rot. Bonds2

About 3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide

3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide (PubChem CID 66482898) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
PubChem CID66482898
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
SMILESNCC#Cc1cnccc1C(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C15H11ClFN3O/c16-12-4-1-5-13(14(12)17)20-15(21)11-6-8-19-9-10(11)3-2-7-18/h1,4-6,8-9H,7,18H2,(H,20,21)
InChIKeyQYDLNHGTWYNPFH-UHFFFAOYSA-N
XLogP2.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 52.44
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-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 105068435
3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 66483084
N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484383
N-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484973
5-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)thiophene-3-carboxamide
CID 79683623
3-(3-aminoprop-1-ynyl)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66483281
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
3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-carboxylic acid
CID 81266249
3-(3-aminoprop-1-ynyl)-N-(2-cyclopropylethyl)pyridine-4-carboxamide
CID 66473056
2-(3-aminoprop-1-ynyl)-N-(5-chloro-2-fluorophenyl)benzamide
CID 60821946
3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 66483662

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide (CID 66482898) is 3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide is NCC#Cc1cnccc1C(=O)Nc1cccc(Cl)c1F.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide?
The InChIKey is QYDLNHGTWYNPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c16-12-4-1-5-13(14(12)17)20-15(21)11-6-8-19-9-10(11)3-2-7-18/h1,4-6,8-9H,7,18H2,(H,20,21).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide has a molecular weight of 303.72 g/mol, XLogP of 2.44, 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-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 66482898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).