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

C15H19N3O2 — CID 66482908

IUPAC3-(3-aminoprop-1-ynyl)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
SMILESNCC#Cc1cnccc1C(=O)NC1CCCCC1O
InChIInChI=1S/C15H19N3O2/c16-8-3-4-11-10-17-9-7-12(11)15(20)18-13-5-1-2-6-14(13)19/h7,9-10,13-14,19H,1-2,5-6,8,16H2,(H,18,20)
InChIKeyWWBOBPPBFXTZLB-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.43
Rot. Bonds2

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

3-(3-aminoprop-1-ynyl)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide (PubChem CID 66482908) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
PubChem CID66482908
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
SMILESNCC#Cc1cnccc1C(=O)NC1CCCCC1O
InChIInChI=1S/C15H19N3O2/c16-8-3-4-11-10-17-9-7-12(11)15(20)18-13-5-1-2-6-14(13)19/h7,9-10,13-14,19H,1-2,5-6,8,16H2,(H,18,20)
InChIKeyWWBOBPPBFXTZLB-UHFFFAOYSA-N
XLogP0.43
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-(2,4-dimethylcyclohexyl)pyridine-4-carboxamide
CID 66472652
3-(3-aminoprop-1-ynyl)-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide
CID 83016440
3-(3-aminoprop-1-ynyl)-N-(2-cyclopropylethyl)pyridine-4-carboxamide
CID 66473056
3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950714
3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide
CID 66482895
N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide
CID 102739207
3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide
CID 66483862
3-(ethylamino)-N-(2-hydroxycycloheptyl)pyridine-4-carboxamide
CID 105071069
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-(3-aminoprop-1-ynyl)-4-pyridinyl]methanone
CID 115561134
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide
CID 60820990
N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66481893
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[3-(3-aminoprop-1-ynyl)-4-pyridinyl]methanone
CID 82753353

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide (CID 66482908) is 3-(3-aminoprop-1-ynyl)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide is NCC#Cc1cnccc1C(=O)NC1CCCCC1O.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide?
The InChIKey is WWBOBPPBFXTZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-8-3-4-11-10-17-9-7-12(11)15(20)18-13-5-1-2-6-14(13)19/h7,9-10,13-14,19H,1-2,5-6,8,16H2,(H,18,20).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide is sourced from PubChem (CID 66482908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).