5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide

C12H15N3O2 — CID 63724052

IUPAC5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide
SMILESCCCN(CCO)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C12H15N3O2/c1-2-5-15(6-7-16)12(17)11-4-3-10(8-13)9-14-11/h3-4,9,16H,2,5-7H2,1H3
InChIKeyXAZSGMVIJIVFPZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.80
Rot. Bonds5

About 5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide

5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide (PubChem CID 63724052) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide
PubChem CID63724052
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide
SMILESCCCN(CCO)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C12H15N3O2/c1-2-5-15(6-7-16)12(17)11-4-3-10(8-13)9-14-11/h3-4,9,16H,2,5-7H2,1H3
InChIKeyXAZSGMVIJIVFPZ-UHFFFAOYSA-N
XLogP0.80
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-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-ethyl-N-propylpyridine-2-carboxamide
CID 63717846
N-butyl-5-cyano-N-ethylpyridine-2-carboxamide
CID 63719310
N-butyl-N-(2-chloroethyl)-5-cyanopyridine-2-carboxamide
CID 55230022
4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655710
5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide
CID 63718638
methyl 3-[(5-cyanopyridine-2-carbonyl)-ethylamino]propanoate
CID 63717102
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62959880
2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107423977
5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
CID 63724074
methyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate
CID 134023429
N-(2-aminophenyl)-5-cyano-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 63724012
5-cyano-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
CID 107398621

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide (CID 63724052) is 5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide is CCCN(CCO)C(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide?
The InChIKey is XAZSGMVIJIVFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-5-15(6-7-16)12(17)11-4-3-10(8-13)9-14-11/h3-4,9,16H,2,5-7H2,1H3.
What are the key properties of 5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide?
5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 63724052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).