N-(2,3-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide

C17H22N2O2 — CID 64921472

IUPACN-(2,3-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(C#CCCO)cn2)C1C
InChIInChI=1S/C17H22N2O2/c1-12-6-8-15(13(12)2)19-17(21)16-9-7-14(11-18-16)5-3-4-10-20/h7,9,11-13,15,20H,4,6,8,10H2,1-2H3,(H,19,21)
InChIKeyVPLKBDGDXYIWMA-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.98
Rot. Bonds3

About N-(2,3-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide

N-(2,3-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide (PubChem CID 64921472) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
PubChem CID64921472
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-(2,3-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(C#CCCO)cn2)C1C
InChIInChI=1S/C17H22N2O2/c1-12-6-8-15(13(12)2)19-17(21)16-9-7-14(11-18-16)5-3-4-10-20/h7,9,11-13,15,20H,4,6,8,10H2,1-2H3,(H,19,21)
InChIKeyVPLKBDGDXYIWMA-UHFFFAOYSA-N
XLogP1.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.98
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

5-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopropyl)pyridine-2-carboxamide
CID 55151928
N-(2,4-dimethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 63999206
N-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide
CID 64921078
5-(4-hydroxybut-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-2-carboxamide
CID 106258786
5-(4-hydroxybut-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 62958633
N-(2,3-dimethylcyclopentyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641575
N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 64920882
5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62960232
5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide
CID 62960751
N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959512
[5-(4-hydroxybut-1-ynyl)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102963953
[5-(4-hydroxybut-1-ynyl)-2-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680682

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide (CID 64921472) is N-(2,3-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide is CC1CCC(NC(=O)c2ccc(C#CCCO)cn2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide?
The InChIKey is VPLKBDGDXYIWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-6-8-15(13(12)2)19-17(21)16-9-7-14(11-18-16)5-3-4-10-20/h7,9,11-13,15,20H,4,6,8,10H2,1-2H3,(H,19,21).
What are the key properties of N-(2,3-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide?
N-(2,3-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 64921472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).