4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide

C15H14Cl2N2O — CID 81225265

IUPAC4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCCc2cccc(Cl)c2)cn1
InChIInChI=1S/C15H14Cl2N2O/c1-10-7-14(17)13(9-19-10)15(20)18-6-5-11-3-2-4-12(16)8-11/h2-4,7-9H,5-6H2,1H3,(H,18,20)
InChIKeyJKBLPVNCMPSHSB-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.67
Rot. Bonds4

About 4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide

4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 81225265) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide
PubChem CID81225265
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCCc2cccc(Cl)c2)cn1
InChIInChI=1S/C15H14Cl2N2O/c1-10-7-14(17)13(9-19-10)15(20)18-6-5-11-3-2-4-12(16)8-11/h2-4,7-9H,5-6H2,1H3,(H,18,20)
InChIKeyJKBLPVNCMPSHSB-UHFFFAOYSA-N
XLogP3.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81226046
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
4-chloro-N-decyl-6-methylpyridine-3-carboxamide
CID 81227523
4-chloro-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 81226552
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
4-hydrazinyl-6-methyl-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81245449
2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide
CID 39730732
4-chloro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103894105
4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide
CID 81225395
N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81226130
2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 61112878

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide (CID 81225265) is 4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NCCc2cccc(Cl)c2)cn1.
What is the InChIKey of 4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is JKBLPVNCMPSHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-10-7-14(17)13(9-19-10)15(20)18-6-5-11-3-2-4-12(16)8-11/h2-4,7-9H,5-6H2,1H3,(H,18,20).
What are the key properties of 4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide?
4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 309.20 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81225265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).