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

C16H15N3O2 — CID 62959215

IUPAC5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C16H15N3O2/c1-21-15-7-3-2-6-13(15)19-16(20)14-9-8-12(11-18-14)5-4-10-17/h2-3,6-9,11H,10,17H2,1H3,(H,19,20)
InChIKeyYOTSGZSVPUCDEU-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.65
Rot. Bonds3

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

5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 62959215) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
PubChem CID62959215
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C16H15N3O2/c1-21-15-7-3-2-6-13(15)19-16(20)14-9-8-12(11-18-14)5-4-10-17/h2-3,6-9,11H,10,17H2,1H3,(H,19,20)
InChIKeyYOTSGZSVPUCDEU-UHFFFAOYSA-N
XLogP1.65
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide
CID 62960476
2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1369664
5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 62960498
5-(ethylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 104639682
5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
CID 62958179
N-[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxamide
CID 103121306
5-(3-aminoprop-1-ynyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 62958879
N-(2-methoxyphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179366
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 62958354
5-(3-aminoprop-1-ynyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 62958356
5-(3-aminoprop-1-ynyl)-N-(2-methoxypropyl)pyridine-2-carboxamide
CID 102700221
5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)thiophene-3-carboxamide
CID 79696317

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide (CID 62959215) is 5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide is COc1ccccc1NC(=O)c1ccc(C#CCN)cn1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is YOTSGZSVPUCDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-15-7-3-2-6-13(15)19-16(20)14-9-8-12(11-18-14)5-4-10-17/h2-3,6-9,11H,10,17H2,1H3,(H,19,20).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62959215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).