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

C16H14FN3O — CID 66483281

IUPAC3-(3-aminoprop-1-ynyl)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
SMILESNCC#Cc1cnccc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H14FN3O/c17-14-5-3-12(4-6-14)10-20-16(21)15-7-9-19-11-13(15)2-1-8-18/h3-7,9,11H,8,10,18H2,(H,20,21)
InChIKeySXIUQKARQCCBJL-UHFFFAOYSA-N
MW283.31 g/mol
LogP1.46
Rot. Bonds3

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

3-(3-aminoprop-1-ynyl)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide (PubChem CID 66483281) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
PubChem CID66483281
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name3-(3-aminoprop-1-ynyl)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
SMILESNCC#Cc1cnccc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H14FN3O/c17-14-5-3-12(4-6-14)10-20-16(21)15-7-9-19-11-13(15)2-1-8-18/h3-7,9,11H,8,10,18H2,(H,20,21)
InChIKeySXIUQKARQCCBJL-UHFFFAOYSA-N
XLogP1.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 51.46
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)pyridine-4-carboxamide
CID 66483084
3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide
CID 66483862
3-(3-aminoprop-1-ynyl)-N-[(5-ethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 106014577
3-(3-aminoprop-1-ynyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 66484263
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
3-(3-aminoprop-1-ynyl)-N-(2-cyclopropylethyl)pyridine-4-carboxamide
CID 66473056
3-(3-aminoprop-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 66484649
3-(3-aminoprop-1-ynyl)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 66472455
3-(3-aminoprop-1-ynyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide
CID 106376152
N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81236247
3-(3-aminoprop-1-ynyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-4-carboxamide
CID 66483865

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide (CID 66483281) is 3-(3-aminoprop-1-ynyl)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide is NCC#Cc1cnccc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is SXIUQKARQCCBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-14-5-3-12(4-6-14)10-20-16(21)15-7-9-19-11-13(15)2-1-8-18/h3-7,9,11H,8,10,18H2,(H,20,21).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide?
3-(3-aminoprop-1-ynyl)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide has a molecular weight of 283.31 g/mol, XLogP of 1.46, 3 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)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 66483281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).