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

C16H14FN3O — CID 62960498

IUPAC5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C16H14FN3O/c1-11-4-6-13(17)9-15(11)20-16(21)14-7-5-12(10-19-14)3-2-8-18/h4-7,9-10H,8,18H2,1H3,(H,20,21)
InChIKeyFWYUEDQBULADRH-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.09
Rot. Bonds2

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

5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide (PubChem CID 62960498) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
PubChem CID62960498
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C16H14FN3O/c1-11-4-6-13(17)9-15(11)20-16(21)14-7-5-12(10-19-14)3-2-8-18/h4-7,9-10H,8,18H2,1H3,(H,20,21)
InChIKeyFWYUEDQBULADRH-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

5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 55229412
5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 62952492
N-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62960401
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 62958354
5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 62959215
5-(3-aminoprop-1-ynyl)-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide
CID 79241057
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
5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide
CID 62960476
4-amino-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 62155744
5-(3-aminoprop-1-ynyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 62954011
5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide
CID 62960645

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide (CID 62960498) is 5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide is Cc1ccc(F)cc1NC(=O)c1ccc(C#CCN)cn1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is FWYUEDQBULADRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-11-4-6-13(17)9-15(11)20-16(21)14-7-5-12(10-19-14)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-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-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-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62960498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).