3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide

C17H23N3O — CID 107523986

IUPAC3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
SMILESCCC1CCC(NC(=O)c2ncccc2C#CCN)CC1
InChIInChI=1S/C17H23N3O/c1-2-13-7-9-15(10-8-13)20-17(21)16-14(5-3-11-18)6-4-12-19-16/h4,6,12-13,15H,2,7-11,18H2,1H3,(H,20,21)
InChIKeyRQOYICXUBWNFDW-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.09
Rot. Bonds3

About 3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide (PubChem CID 107523986) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
PubChem CID107523986
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
SMILESCCC1CCC(NC(=O)c2ncccc2C#CCN)CC1
InChIInChI=1S/C17H23N3O/c1-2-13-7-9-15(10-8-13)20-17(21)16-14(5-3-11-18)6-4-12-19-16/h4,6,12-13,15H,2,7-11,18H2,1H3,(H,20,21)
InChIKeyRQOYICXUBWNFDW-UHFFFAOYSA-N
XLogP2.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)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

3-(3-aminoprop-1-ynyl)-N-(3-methylcyclopentyl)pyridine-2-carboxamide
CID 107524869
3-(3-aminoprop-1-ynyl)-N-(1-cyclopropylbutan-2-yl)pyridine-2-carboxamide
CID 107524452
3-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)pyridine-2-carboxamide
CID 107524450
3-(3-aminoprop-1-ynyl)-N-(3-butoxypropyl)pyridine-2-carboxamide
CID 107524783
3-(3-aminoprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 107524262
3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide
CID 107524467
5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62954357
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107521646
3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 107524154
methyl 3-[[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]amino]propanoate
CID 107523903
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide
CID 107521495
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 107524221

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide (CID 107523986) is 3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide is CCC1CCC(NC(=O)c2ncccc2C#CCN)CC1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide?
The InChIKey is RQOYICXUBWNFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-13-7-9-15(10-8-13)20-17(21)16-14(5-3-11-18)6-4-12-19-16/h4,6,12-13,15H,2,7-11,18H2,1H3,(H,20,21).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.09, 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-ethylcyclohexyl)pyridine-2-carboxamide is sourced from PubChem (CID 107523986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).