5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide

C14H16N2O3 — CID 62960061

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(C#CCO)cn1
InChIInChI=1S/C14H16N2O3/c17-7-1-2-11-3-4-13(15-10-11)14(18)16-12-5-8-19-9-6-12/h3-4,10,12,17H,5-9H2,(H,16,18)
InChIKeyMXXXFLQTHYKFKK-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.33
Rot. Bonds2

About 5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide (PubChem CID 62960061) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide
PubChem CID62960061
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(C#CCO)cn1
InChIInChI=1S/C14H16N2O3/c17-7-1-2-11-3-4-13(15-10-11)14(18)16-12-5-8-19-9-6-12/h3-4,10,12,17H,5-9H2,(H,16,18)
InChIKeyMXXXFLQTHYKFKK-UHFFFAOYSA-N
XLogP0.33
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 83035238
5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide
CID 62960645
N-(2,4-dimethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 63999206
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63706259
5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62954357
2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide
CID 60815314
5-(4-hydroxybut-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 62958633
5-(3-hydroxyprop-1-ynyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 63227424
N-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide
CID 53384850
N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958260
N-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide;hydrochloride
CID 53384878
5-(3-hydroxyprop-1-ynyl)-N-(thian-2-ylmethyl)pyridine-2-carboxamide
CID 80612844

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide (CID 62960061) is 5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide is O=C(NC1CCOCC1)c1ccc(C#CCO)cn1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide?
The InChIKey is MXXXFLQTHYKFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-7-1-2-11-3-4-13(15-10-11)14(18)16-12-5-8-19-9-6-12/h3-4,10,12,17H,5-9H2,(H,16,18).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62960061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).