3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide

C15H13Cl3N2O — CID 60736835

IUPAC3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl3N2O/c1-9(10-3-5-11(16)6-4-10)20(2)15(21)14-12(17)7-8-13(18)19-14/h3-9H,1-2H3
InChIKeyCDDLHSNHIGBNFQ-UHFFFAOYSA-N
MW343.64 g/mol
LogP4.88
Rot. Bonds3

About 3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide

3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide (PubChem CID 60736835) has the molecular formula C15H13Cl3N2O and a molecular weight of 343.64 g/mol. Its IUPAC name is 3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
PubChem CID60736835
Molecular FormulaC15H13Cl3N2O
Molecular Weight343.64 g/mol
Exact Mass342.01
IUPAC Name3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl3N2O/c1-9(10-3-5-11(16)6-4-10)20(2)15(21)14-12(17)7-8-13(18)19-14/h3-9H,1-2H3
InChIKeyCDDLHSNHIGBNFQ-UHFFFAOYSA-N
XLogP4.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.64
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,6-dichloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 42923047
2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 60735316
3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 66483342
4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 65354207
3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 60748160
6-amino-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62980332
N-[1-(4-chlorophenyl)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide
CID 78865955
3,6-dichloropyridine-2-carboxylic acid;propan-2-amine
CID 174671655
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide
CID 55731326
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide
CID 166408201
3-amino-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 62979253

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide (CID 60736835) is 3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide is CC(c1ccc(Cl)cc1)N(C)C(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is CDDLHSNHIGBNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O/c1-9(10-3-5-11(16)6-4-10)20(2)15(21)14-12(17)7-8-13(18)19-14/h3-9H,1-2H3.
What are the key properties of 3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide?
3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 343.64 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 60736835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).