3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide

C15H14Cl2N2O — CID 66483342

IUPAC3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)c1ccncc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-10(11-3-5-12(16)6-4-11)19(2)15(20)13-7-8-18-9-14(13)17/h3-10H,1-2H3
InChIKeyOXWIDFBAKAWSGL-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.22
Rot. Bonds3

About 3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide

3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide (PubChem CID 66483342) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
PubChem CID66483342
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)c1ccncc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-10(11-3-5-12(16)6-4-11)19(2)15(20)13-7-8-18-9-14(13)17/h3-10H,1-2H3
InChIKeyOXWIDFBAKAWSGL-UHFFFAOYSA-N
XLogP4.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81226725
4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 81225414
3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide
CID 104555833
2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 114917924
3-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 115667187
N-(4-amino-4-sulfanylidenebutan-2-yl)-3-chloro-N-methylpyridine-4-carboxamide
CID 66463013
5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 77080919
3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 60736835
3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 112551650
N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide
CID 105069956
2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 60735316
2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 61053761

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide (CID 66483342) is 3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide is CC(c1ccc(Cl)cc1)N(C)C(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide?
The InChIKey is OXWIDFBAKAWSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-10(11-3-5-12(16)6-4-11)19(2)15(20)13-7-8-18-9-14(13)17/h3-10H,1-2H3.
What are the key properties of 3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide?
3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide has a molecular weight of 309.20 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 66483342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).