3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide

C14H10Cl4N2O — CID 60794885

IUPAC3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl4N2O/c1-20(7-8-4-9(15)6-10(16)5-8)14(21)13-11(17)2-3-12(18)19-13/h2-6H,7H2,1H3
InChIKeyJDNOXNODKAPPJQ-UHFFFAOYSA-N
MW364.06 g/mol
LogP4.97
Rot. Bonds3

About 3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide

3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 60794885) has the molecular formula C14H10Cl4N2O and a molecular weight of 364.06 g/mol. Its IUPAC name is 3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID60794885
Molecular FormulaC14H10Cl4N2O
Molecular Weight364.06 g/mol
Exact Mass361.95
IUPAC Name3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl4N2O/c1-20(7-8-4-9(15)6-10(16)5-8)14(21)13-11(17)2-3-12(18)19-13/h2-6H,7H2,1H3
InChIKeyJDNOXNODKAPPJQ-UHFFFAOYSA-N
XLogP4.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.06
LogP ≤ 54.97
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

N-(1,3-benzodioxol-5-ylmethyl)-3,6-dichloro-N-methylpyridine-2-carboxamide
CID 35359994
3,6-dichloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 78780702
3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 43395968
3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 35136218
3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
CID 60718086
3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 62053831
3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 60644776
6-amino-3-chloro-N-ethyl-N-methylpyridine-2-carboxamide
CID 62154422
3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 60748160
3,6-dichloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 26772614
5-bromo-N-[(3,5-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 60794455
3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 60736835

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide (CID 60794885) is 3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide is CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is JDNOXNODKAPPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4N2O/c1-20(7-8-4-9(15)6-10(16)5-8)14(21)13-11(17)2-3-12(18)19-13/h2-6H,7H2,1H3.
What are the key properties of 3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide?
3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 364.06 g/mol, XLogP of 4.97, 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-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 60794885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).