N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide

C16H15N3O — CID 63334015

IUPACN-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccccn2)cc1C#CCN
InChIInChI=1S/C16H15N3O/c1-12-7-8-14(11-13(12)5-4-9-17)19-16(20)15-6-2-3-10-18-15/h2-3,6-8,10-11H,9,17H2,1H3,(H,19,20)
InChIKeyWKZCOWCAYNAXMK-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.95
Rot. Bonds2

About N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide

N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide (PubChem CID 63334015) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide
PubChem CID63334015
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccccn2)cc1C#CCN
InChIInChI=1S/C16H15N3O/c1-12-7-8-14(11-13(12)5-4-9-17)19-16(20)15-6-2-3-10-18-15/h2-3,6-8,10-11H,9,17H2,1H3,(H,19,20)
InChIKeyWKZCOWCAYNAXMK-UHFFFAOYSA-N
XLogP1.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.95
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

N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide
CID 63334197
N-(3-amino-4-methylphenyl)pyridine-2-carboxamide
CID 24707912
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-4-methylbenzamide
CID 63334244
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyrimidine-5-carboxamide
CID 102922475
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide
CID 60813372
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide
CID 55202900
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide
CID 104780767
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-methoxy-2-methylpropanamide
CID 103021981
1-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopropylurea
CID 55203285
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-methoxy-3-methylbutanamide
CID 103021982
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 65436071
N-[3-(aminomethyl)-4-fluorophenyl]pyridine-2-carboxamide
CID 62317302

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide (CID 63334015) is N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccccn2)cc1C#CCN.
What is the InChIKey of N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide?
The InChIKey is WKZCOWCAYNAXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-7-8-14(11-13(12)5-4-9-17)19-16(20)15-6-2-3-10-18-15/h2-3,6-8,10-11H,9,17H2,1H3,(H,19,20).
What are the key properties of N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide?
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 63334015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).