4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide

C13H16ClN3O2 — CID 81227229

IUPAC4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C13H16ClN3O2/c1-10-8-12(14)11(9-16-10)13(18)17(5-3-4-15)6-7-19-2/h8-9H,3,5-7H2,1-2H3
InChIKeyWZBTYYWDMTZXQL-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.05
Rot. Bonds6

About 4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide

4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide (PubChem CID 81227229) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
PubChem CID81227229
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C13H16ClN3O2/c1-10-8-12(14)11(9-16-10)13(18)17(5-3-4-15)6-7-19-2/h8-9H,3,5-7H2,1-2H3
InChIKeyWZBTYYWDMTZXQL-UHFFFAOYSA-N
XLogP2.05
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate
CID 81228292
4-chloro-N-(2-methoxyethyl)-N,6-dimethylpyridine-3-carboxamide
CID 81226512
2-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-sulfanylbenzamide
CID 107029635
4-chloro-N-(2-cyanoethyl)-2,5-difluoro-N-(2-methoxyethyl)benzamide
CID 82772600
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide
CID 55172677
4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide
CID 103817245
N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide
CID 81224997
N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 63237259
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide
CID 63286185
5-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 63289968
2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105386249
4-(ethylamino)-N,N-bis(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 81237785

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide (CID 81227229) is 4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide is COCCN(CCC#N)C(=O)c1cnc(C)cc1Cl.
What is the InChIKey of 4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide?
The InChIKey is WZBTYYWDMTZXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-10-8-12(14)11(9-16-10)13(18)17(5-3-4-15)6-7-19-2/h8-9H,3,5-7H2,1-2H3.
What are the key properties of 4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide?
4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81227229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).