5-(3-hydroxyprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide

C16H20N2O2 — CID 107420278

IUPAC5-(3-hydroxyprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide
SMILESCC1CCCC1CNC(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C16H20N2O2/c1-12-4-2-6-14(12)11-18-16(20)15-8-13(5-3-7-19)9-17-10-15/h8-10,12,14,19H,2,4,6-7,11H2,1H3,(H,18,20)
InChIKeyUIOWXOHQSPJVMM-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.59
Rot. Bonds3

About 5-(3-hydroxyprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide (PubChem CID 107420278) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide
PubChem CID107420278
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide
SMILESCC1CCCC1CNC(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C16H20N2O2/c1-12-4-2-6-14(12)11-18-16(20)15-8-13(5-3-7-19)9-17-10-15/h8-10,12,14,19H,2,4,6-7,11H2,1H3,(H,18,20)
InChIKeyUIOWXOHQSPJVMM-UHFFFAOYSA-N
XLogP1.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.59
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-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide
CID 55071338
N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 54975137
3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420310
N-(3-amino-3-oxopropyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 54974696
N-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide
CID 54974844
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 54975093
5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide
CID 106342053
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 115991509
5-(3-hydroxyprop-1-ynyl)-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
CID 106331039
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 65245893
5-(3-hydroxyprop-1-ynyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 62849404
5-(3-aminoprop-1-ynyl)-N-(thian-2-ylmethyl)pyridine-3-carboxamide
CID 80612685

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide (CID 107420278) is 5-(3-hydroxyprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide is CC1CCCC1CNC(=O)c1cncc(C#CCO)c1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide?
The InChIKey is UIOWXOHQSPJVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-4-2-6-14(12)11-18-16(20)15-8-13(5-3-7-19)9-17-10-15/h8-10,12,14,19H,2,4,6-7,11H2,1H3,(H,18,20).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 107420278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).