3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide

C14H16N2O3 — CID 107523010

IUPAC3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide
SMILESCN(C(=O)c1ncccc1C#CCO)C1CCOC1
InChIInChI=1S/C14H16N2O3/c1-16(12-6-9-19-10-12)14(18)13-11(5-3-8-17)4-2-7-15-13/h2,4,7,12,17H,6,8-10H2,1H3
InChIKeyRQEVORNYXYKVFA-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.29
Rot. Bonds2

About 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide (PubChem CID 107523010) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide
PubChem CID107523010
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide
SMILESCN(C(=O)c1ncccc1C#CCO)C1CCOC1
InChIInChI=1S/C14H16N2O3/c1-16(12-6-9-19-10-12)14(18)13-11(5-3-8-17)4-2-7-15-13/h2,4,7,12,17H,6,8-10H2,1H3
InChIKeyRQEVORNYXYKVFA-UHFFFAOYSA-N
XLogP0.29
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide (CID 107523010) is 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide is CN(C(=O)c1ncccc1C#CCO)C1CCOC1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide?
The InChIKey is RQEVORNYXYKVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16(12-6-9-19-10-12)14(18)13-11(5-3-8-17)4-2-7-15-13/h2,4,7,12,17H,6,8-10H2,1H3.
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 107523010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).