4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide

C15H13Cl3N2O — CID 81227711

IUPAC4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)N(C)Cc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C15H13Cl3N2O/c1-9-5-14(18)12(7-19-9)15(21)20(2)8-10-3-4-11(16)6-13(10)17/h3-7H,8H2,1-2H3
InChIKeyOLLMGGUTSNSXHR-UHFFFAOYSA-N
MW343.64 g/mol
LogP4.62
Rot. Bonds3

About 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide

4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide (PubChem CID 81227711) has the molecular formula C15H13Cl3N2O and a molecular weight of 343.64 g/mol. Its IUPAC name is 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
PubChem CID81227711
Molecular FormulaC15H13Cl3N2O
Molecular Weight343.64 g/mol
Exact Mass342.01
IUPAC Name4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)N(C)Cc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C15H13Cl3N2O/c1-9-5-14(18)12(7-19-9)15(21)20(2)8-10-3-4-11(16)6-13(10)17/h3-7H,8H2,1-2H3
InChIKeyOLLMGGUTSNSXHR-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide
CID 81226226
4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 81226370
4-chloro-N-ethyl-N,6-dimethylpyridine-3-carboxamide
CID 81225000
6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 9417730
4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81240859
4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide
CID 103817245
3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118651
N-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide
CID 81238660
3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 61117248
4-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81226216
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
4-chloro-N-(2-methoxyethyl)-N,6-dimethylpyridine-3-carboxamide
CID 81226512

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide (CID 81227711) is 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)N(C)Cc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is OLLMGGUTSNSXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O/c1-9-5-14(18)12(7-19-9)15(21)20(2)8-10-3-4-11(16)6-13(10)17/h3-7H,8H2,1-2H3.
What are the key properties of 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide?
4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 343.64 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 81227711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).