5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide

C13H14N2O2 — CID 55071338

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide
SMILESCC1CC1NC(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C13H14N2O2/c1-9-5-12(9)15-13(17)11-6-10(3-2-4-16)7-14-8-11/h6-9,12,16H,4-5H2,1H3,(H,15,17)
InChIKeyIHCCWPBZUIZTOT-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.56
Rot. Bonds2

About 5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide (PubChem CID 55071338) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide
PubChem CID55071338
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide
SMILESCC1CC1NC(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C13H14N2O2/c1-9-5-12(9)15-13(17)11-6-10(3-2-4-16)7-14-8-11/h6-9,12,16H,4-5H2,1H3,(H,15,17)
InChIKeyIHCCWPBZUIZTOT-UHFFFAOYSA-N
XLogP0.56
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.56
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-methylcyclopentyl)methyl]pyridine-3-carboxamide
CID 107420278
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 54975093
5-(3-hydroxyprop-1-ynyl)-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
CID 106331039
5-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 107589630
N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 54975137
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
N-hexan-3-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 55033591
5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide
CID 62086672
5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide
CID 83023468
5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)pyridine-3-carboxamide
CID 63564141
5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide
CID 62914339

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide (CID 55071338) is 5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide is CC1CC1NC(=O)c1cncc(C#CCO)c1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide?
The InChIKey is IHCCWPBZUIZTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-5-12(9)15-13(17)11-6-10(3-2-4-16)7-14-8-11/h6-9,12,16H,4-5H2,1H3,(H,15,17).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.56, 2 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-methylcyclopropyl)pyridine-3-carboxamide is sourced from PubChem (CID 55071338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).