3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide

C9H7Cl2N3O — CID 60693634

IUPAC3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide
SMILESN#CCCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C9H7Cl2N3O/c10-6-2-3-7(11)14-8(6)9(15)13-5-1-4-12/h2-3H,1,5H2,(H,13,15)
InChIKeyKMFWDTJPFYLGLS-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.03
Rot. Bonds3

About 3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide

3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide (PubChem CID 60693634) has the molecular formula C9H7Cl2N3O and a molecular weight of 244.08 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide
PubChem CID60693634
Molecular FormulaC9H7Cl2N3O
Molecular Weight244.08 g/mol
Exact Mass243.00
IUPAC Name3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide
SMILESN#CCCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C9H7Cl2N3O/c10-6-2-3-7(11)14-8(6)9(15)13-5-1-4-12/h2-3H,1,5H2,(H,13,15)
InChIKeyKMFWDTJPFYLGLS-UHFFFAOYSA-N
XLogP2.03
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,6-dichloro-N-(2-cyanoethyl)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

3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide
CID 63284311
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450
3,6-dichloro-N-hex-5-ynylpyridine-2-carboxamide
CID 103758152
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide
CID 60736617
3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 47215448
3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide
CID 115619986
3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 26518394
3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 1397872
3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide
CID 113365346
3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide
CID 26643522
N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide
CID 113257998

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide (CID 60693634) is 3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide is N#CCCNC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide?
The InChIKey is KMFWDTJPFYLGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O/c10-6-2-3-7(11)14-8(6)9(15)13-5-1-4-12/h2-3H,1,5H2,(H,13,15).
What are the key properties of 3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide?
3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide has a molecular weight of 244.08 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide is sourced from PubChem (CID 60693634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).