5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide

C16H14FN3O — CID 62952492

IUPAC5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(C#CCN)cn2)ccc1F
InChIInChI=1S/C16H14FN3O/c1-11-9-13(5-6-14(11)17)20-16(21)15-7-4-12(10-19-15)3-2-8-18/h4-7,9-10H,8,18H2,1H3,(H,20,21)
InChIKeyRORXIVLLGBELQH-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.09
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide (PubChem CID 62952492) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
PubChem CID62952492
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(C#CCN)cn2)ccc1F
InChIInChI=1S/C16H14FN3O/c1-11-9-13(5-6-14(11)17)20-16(21)15-7-4-12(10-19-15)3-2-8-18/h4-7,9-10H,8,18H2,1H3,(H,20,21)
InChIKeyRORXIVLLGBELQH-UHFFFAOYSA-N
XLogP2.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.09
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

4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)benzamide
CID 62813798
5-(3-aminoprop-1-ynyl)-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide
CID 79241057
5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 63716731
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 62958354
5-(aminomethyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 63722889
5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 62960498
N-[4-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-3-methylbenzamide
CID 63211851
5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide
CID 62960476
N-(4-fluoro-3-methylphenyl)-5-methylpyridine-2-carboxamide
CID 90289728
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 65436071
5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
CID 62958179
5-(3-aminoprop-1-ynyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 62958879

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide (CID 62952492) is 5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide is Cc1cc(NC(=O)c2ccc(C#CCN)cn2)ccc1F.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide?
The InChIKey is RORXIVLLGBELQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-11-9-13(5-6-14(11)17)20-16(21)15-7-4-12(10-19-15)3-2-8-18/h4-7,9-10H,8,18H2,1H3,(H,20,21).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide has a molecular weight of 283.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62952492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).