2-(2-chloro-6-cyanoanilino)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide

C17H17ClN4O — CID 71871162

IUPAC2-(2-chloro-6-cyanoanilino)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCN(CCc1ccccn1)C(=O)CNc1c(Cl)cccc1C#N
InChIInChI=1S/C17H17ClN4O/c1-22(10-8-14-6-2-3-9-20-14)16(23)12-21-17-13(11-19)5-4-7-15(17)18/h2-7,9,21H,8,10,12H2,1H3
InChIKeyUGRVWVQJWAWBDR-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.72
Rot. Bonds6

About 2-(2-chloro-6-cyanoanilino)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide

2-(2-chloro-6-cyanoanilino)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 71871162) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-(2-chloro-6-cyanoanilino)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-cyanoanilino)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID71871162
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name2-(2-chloro-6-cyanoanilino)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCN(CCc1ccccn1)C(=O)CNc1c(Cl)cccc1C#N
InChIInChI=1S/C17H17ClN4O/c1-22(10-8-14-6-2-3-9-20-14)16(23)12-21-17-13(11-19)5-4-7-15(17)18/h2-7,9,21H,8,10,12H2,1H3
InChIKeyUGRVWVQJWAWBDR-UHFFFAOYSA-N
XLogP2.72
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-hydroxy-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]benzamide
CID 167836216
2-[[N-[(2-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 111175311
2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115115934
2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile
CID 133498376
2-chloro-4-cyano-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 75475340
(2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride
CID 119873322
N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;dihydrochloride
CID 119873294
4-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]pentanamide
CID 120565270
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43156182
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
5,6-dichloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 60699347

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-cyanoanilino)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-(2-chloro-6-cyanoanilino)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide (CID 71871162) is 2-(2-chloro-6-cyanoanilino)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-cyanoanilino)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-cyanoanilino)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide is CN(CCc1ccccn1)C(=O)CNc1c(Cl)cccc1C#N.
What is the InChIKey of 2-(2-chloro-6-cyanoanilino)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is UGRVWVQJWAWBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-22(10-8-14-6-2-3-9-20-14)16(23)12-21-17-13(11-19)5-4-7-15(17)18/h2-7,9,21H,8,10,12H2,1H3.
What are the key properties of 2-(2-chloro-6-cyanoanilino)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
2-(2-chloro-6-cyanoanilino)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 328.80 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-cyanoanilino)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 71871162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).