2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide

C13H15Cl2N3O — CID 114917914

IUPAC2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C13H15Cl2N3O/c1-9(2)8-18(5-3-4-16)13(19)10-6-12(15)17-7-11(10)14/h6-7,9H,3,5,8H2,1-2H3
InChIKeyNYUGXSJLZMKKCY-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.40
Rot. Bonds5

About 2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide

2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide (PubChem CID 114917914) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
PubChem CID114917914
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C13H15Cl2N3O/c1-9(2)8-18(5-3-4-16)13(19)10-6-12(15)17-7-11(10)14/h6-7,9H,3,5,8H2,1-2H3
InChIKeyNYUGXSJLZMKKCY-UHFFFAOYSA-N
XLogP3.40
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)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

5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114922574
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114917935
2-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)-5-sulfanylbenzamide
CID 107026865
2,5-dichloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
CID 114917928
5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61114721
5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide
CID 60654559
2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 62162054
2-chloro-N,N-bis(2-cyanoethyl)-5-nitropyridine-4-carboxamide
CID 103733187
2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114922590
2-chloro-N-(2-cyanoethyl)-6-hydrazinyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 62235894
2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide
CID 60654639
5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
CID 61115858

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide (CID 114917914) is 2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide is CC(C)CN(CCC#N)C(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is NYUGXSJLZMKKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-9(2)8-18(5-3-4-16)13(19)10-6-12(15)17-7-11(10)14/h6-7,9H,3,5,8H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide?
2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 300.19 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 114917914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).