3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide

C17H23N3O — CID 107524117

IUPAC3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide
SMILESCC1CCCCC1N(C)C(=O)c1ncccc1C#CCN
InChIInChI=1S/C17H23N3O/c1-13-7-3-4-10-15(13)20(2)17(21)16-14(8-5-11-18)9-6-12-19-16/h6,9,12-13,15H,3-4,7,10-11,18H2,1-2H3
InChIKeyIYEGPXGOIYHBJC-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.04
Rot. Bonds2

About 3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide (PubChem CID 107524117) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide
PubChem CID107524117
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide
SMILESCC1CCCCC1N(C)C(=O)c1ncccc1C#CCN
InChIInChI=1S/C17H23N3O/c1-13-7-3-4-10-15(13)20(2)17(21)16-14(8-5-11-18)9-6-12-19-16/h6,9,12-13,15H,3-4,7,10-11,18H2,1-2H3
InChIKeyIYEGPXGOIYHBJC-UHFFFAOYSA-N
XLogP2.04
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
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-cyclobutyl-N-methylpyridine-2-carboxamide
CID 107524822
3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 107524154
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 107523595
5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 62952665
3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide
CID 107524467
3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
CID 107524951
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(4,4-dimethylazepan-1-yl)methanone
CID 107524532
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 107524415
3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 107524444
3-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 107524152
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-(3-aminoprop-1-ynyl)-2-pyridinyl]methanone
CID 107524658
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107524952

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide (CID 107524117) is 3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide is CC1CCCCC1N(C)C(=O)c1ncccc1C#CCN.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide?
The InChIKey is IYEGPXGOIYHBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-7-3-4-10-15(13)20(2)17(21)16-14(8-5-11-18)9-6-12-19-16/h6,9,12-13,15H,3-4,7,10-11,18H2,1-2H3.
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide is sourced from PubChem (CID 107524117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).