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

C17H23N3O — CID 66472652

IUPAC3-(3-aminoprop-1-ynyl)-N-(2,4-dimethylcyclohexyl)pyridine-4-carboxamide
SMILESCC1CCC(NC(=O)c2ccncc2C#CCN)C(C)C1
InChIInChI=1S/C17H23N3O/c1-12-5-6-16(13(2)10-12)20-17(21)15-7-9-19-11-14(15)4-3-8-18/h7,9,11-13,16H,5-6,8,10,18H2,1-2H3,(H,20,21)
InChIKeyHHWUPWCUHXRHTK-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.95
Rot. Bonds2

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

3-(3-aminoprop-1-ynyl)-N-(2,4-dimethylcyclohexyl)pyridine-4-carboxamide (PubChem CID 66472652) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(2,4-dimethylcyclohexyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(2,4-dimethylcyclohexyl)pyridine-4-carboxamide
PubChem CID66472652
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(2,4-dimethylcyclohexyl)pyridine-4-carboxamide
SMILESCC1CCC(NC(=O)c2ccncc2C#CCN)C(C)C1
InChIInChI=1S/C17H23N3O/c1-12-5-6-16(13(2)10-12)20-17(21)15-7-9-19-11-14(15)4-3-8-18/h7,9,11-13,16H,5-6,8,10,18H2,1-2H3,(H,20,21)
InChIKeyHHWUPWCUHXRHTK-UHFFFAOYSA-N
XLogP1.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
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

3-(3-aminoprop-1-ynyl)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 66482908
N-(2,4-dimethylcyclohexyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105070253
3-(3-aminoprop-1-ynyl)-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide
CID 83016440
3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide
CID 66483862
3-(3-aminoprop-1-ynyl)-N-(2-cyclopropylethyl)pyridine-4-carboxamide
CID 66473056
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 55171481
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide
CID 60820990
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 66481909
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)pyridine-4-carboxamide
CID 106346966
3-(3-aminoprop-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 66484649
3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 66483084
3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 66483662

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(2,4-dimethylcyclohexyl)pyridine-4-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(2,4-dimethylcyclohexyl)pyridine-4-carboxamide (CID 66472652) is 3-(3-aminoprop-1-ynyl)-N-(2,4-dimethylcyclohexyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(2,4-dimethylcyclohexyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(2,4-dimethylcyclohexyl)pyridine-4-carboxamide is CC1CCC(NC(=O)c2ccncc2C#CCN)C(C)C1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(2,4-dimethylcyclohexyl)pyridine-4-carboxamide?
The InChIKey is HHWUPWCUHXRHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-5-6-16(13(2)10-12)20-17(21)15-7-9-19-11-14(15)4-3-8-18/h7,9,11-13,16H,5-6,8,10,18H2,1-2H3,(H,20,21).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(2,4-dimethylcyclohexyl)pyridine-4-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(2,4-dimethylcyclohexyl)pyridine-4-carboxamide has a molecular weight of 285.39 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 3-(3-aminoprop-1-ynyl)-N-(2,4-dimethylcyclohexyl)pyridine-4-carboxamide is sourced from PubChem (CID 66472652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).