3-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide

C14H19ClN4O2 — CID 63290108

IUPAC3-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)N(CCC#N)CCOC)n1
InChIInChI=1S/C14H19ClN4O2/c1-3-17-12-6-5-11(15)13(18-12)14(20)19(8-4-7-16)9-10-21-2/h5-6H,3-4,8-10H2,1-2H3,(H,17,18)
InChIKeyMAFQCAUCDXWVBT-UHFFFAOYSA-N
MW310.79 g/mol
LogP2.17
Rot. Bonds8

About 3-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide

3-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 63290108) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 3-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID63290108
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name3-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)N(CCC#N)CCOC)n1
InChIInChI=1S/C14H19ClN4O2/c1-3-17-12-6-5-11(15)13(18-12)14(20)19(8-4-7-16)9-10-21-2/h5-6H,3-4,8-10H2,1-2H3,(H,17,18)
InChIKeyMAFQCAUCDXWVBT-UHFFFAOYSA-N
XLogP2.17
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-(2-methoxyethyl)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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide (CID 63290108) is 3-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide is CCNc1ccc(Cl)c(C(=O)N(CCC#N)CCOC)n1.
What is the InChIKey of 3-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is MAFQCAUCDXWVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-3-17-12-6-5-11(15)13(18-12)14(20)19(8-4-7-16)9-10-21-2/h5-6H,3-4,8-10H2,1-2H3,(H,17,18).
What are the key properties of 3-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide?
3-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide has a molecular weight of 310.79 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 63290108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).