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

C16H20N2O3 — CID 63706259

IUPAC5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1ccc(C#CCO)cn1
InChIInChI=1S/C16H20N2O3/c1-18(12-14-6-9-21-10-7-14)16(20)15-5-4-13(11-17-15)3-2-8-19/h4-5,11,14,19H,6-10,12H2,1H3
InChIKeyYBWSSRXQYBOMFS-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.92
Rot. Bonds3

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

5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 63706259) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
PubChem CID63706259
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1ccc(C#CCO)cn1
InChIInChI=1S/C16H20N2O3/c1-18(12-14-6-9-21-10-7-14)16(20)15-5-4-13(11-17-15)3-2-8-19/h4-5,11,14,19H,6-10,12H2,1H3
InChIKeyYBWSSRXQYBOMFS-UHFFFAOYSA-N
XLogP0.92
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63770699
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 63655157
5-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63724401
5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide
CID 62960061
N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 55152298
5-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 63275515
N-(1-cyclopropylethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 62959141
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide
CID 62958249
6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 55226827
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 106917670
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 63021060
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide
CID 62958096

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide (CID 63706259) is 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide is CN(CC1CCOCC1)C(=O)c1ccc(C#CCO)cn1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is YBWSSRXQYBOMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-18(12-14-6-9-21-10-7-14)16(20)15-5-4-13(11-17-15)3-2-8-19/h4-5,11,14,19H,6-10,12H2,1H3.
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 63706259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).