3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide

C15H18N2O2 — CID 66484044

IUPAC3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
SMILESCC1CC1CN(C)C(=O)c1ccncc1C#CCO
InChIInChI=1S/C15H18N2O2/c1-11-8-13(11)10-17(2)15(19)14-5-6-16-9-12(14)4-3-7-18/h5-6,9,11,13,18H,7-8,10H2,1-2H3
InChIKeyFXUSMOGUNWLFJD-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.15
Rot. Bonds3

About 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide (PubChem CID 66484044) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
PubChem CID66484044
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
SMILESCC1CC1CN(C)C(=O)c1ccncc1C#CCO
InChIInChI=1S/C15H18N2O2/c1-11-8-13(11)10-17(2)15(19)14-5-6-16-9-12(14)4-3-7-18/h5-6,9,11,13,18H,7-8,10H2,1-2H3
InChIKeyFXUSMOGUNWLFJD-UHFFFAOYSA-N
XLogP1.15
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-4-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

3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 66482656
N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-4-carboxamide
CID 66484013
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-4-carboxamide
CID 66483437
3-(4-hydroxybut-1-ynyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-4-carboxamide
CID 66482883
4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 81233422
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66484972
2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63858720
4-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 81249131
4-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 81241438
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 66484822
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63858718
N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 83112396

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide (CID 66484044) is 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide is CC1CC1CN(C)C(=O)c1ccncc1C#CCO.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide?
The InChIKey is FXUSMOGUNWLFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-8-13(11)10-17(2)15(19)14-5-6-16-9-12(14)4-3-7-18/h5-6,9,11,13,18H,7-8,10H2,1-2H3.
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 66484044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).