5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide

C15H20N2O3 — CID 81062814

IUPAC5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
SMILESCC(C)OCCN(C)C(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C15H20N2O3/c1-12(2)20-8-6-17(3)15(19)14-9-13(5-4-7-18)10-16-11-14/h9-12,18H,6-8H2,1-3H3
InChIKeyROONLKDAPXBFHT-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.92
Rot. Bonds5

About 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide (PubChem CID 81062814) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
PubChem CID81062814
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
SMILESCC(C)OCCN(C)C(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C15H20N2O3/c1-12(2)20-8-6-17(3)15(19)14-9-13(5-4-7-18)10-16-11-14/h9-12,18H,6-8H2,1-3H3
InChIKeyROONLKDAPXBFHT-UHFFFAOYSA-N
XLogP0.92
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
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-(2-propan-2-yloxyethyl)pyridine-3-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

N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-carboxamide
CID 63698983
N-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide
CID 54974844
5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 112663397
2-(3-hydroxyprop-1-ynyl)-N,5-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 81112599
5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 104764922
5-(3-hydroxyprop-1-ynyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 62849404
3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
CID 22458041
4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 103873795
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 54975093
3-(3-hydroxyprop-1-ynyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104764817
[4-(1-hydroxyethyl)piperidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone
CID 106837183
2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 80710277

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide (CID 81062814) is 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide is CC(C)OCCN(C)C(=O)c1cncc(C#CCO)c1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide?
The InChIKey is ROONLKDAPXBFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-12(2)20-8-6-17(3)15(19)14-9-13(5-4-7-18)10-16-11-14/h9-12,18H,6-8H2,1-3H3.
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.92, 5 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-(2-propan-2-yloxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 81062814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).