3,6-dichloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-2-carboxamide

C16H15Cl2N3O2 — CID 26772614

IUPAC3,6-dichloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H15Cl2N3O2/c1-10-3-5-11(6-4-10)19-14(22)9-21(2)16(23)15-12(17)7-8-13(18)20-15/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyHOBSJZAIXFKUAR-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.41
Rot. Bonds4

About 3,6-dichloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-2-carboxamide

3,6-dichloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 26772614) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 3,6-dichloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
PubChem CID26772614
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name3,6-dichloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H15Cl2N3O2/c1-10-3-5-11(6-4-10)19-14(22)9-21(2)16(23)15-12(17)7-8-13(18)20-15/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyHOBSJZAIXFKUAR-UHFFFAOYSA-N
XLogP3.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide
CID 26904882
2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
CID 27869715
2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 2672755
3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
CID 60718086
2-[(4-chlorophenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8742338
4-chloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-sulfamoylbenzamide
CID 9493763
(E)-3-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]prop-2-enamide
CID 9494338
ethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate
CID 31183062
N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]furan-2-carboxamide
CID 38005582
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 40728961
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2484863

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-2-carboxamide (CID 26772614) is 3,6-dichloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-2-carboxamide is Cc1ccc(NC(=O)CN(C)C(=O)c2nc(Cl)ccc2Cl)cc1.
What is the InChIKey of 3,6-dichloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is HOBSJZAIXFKUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c1-10-3-5-11(6-4-10)19-14(22)9-21(2)16(23)15-12(17)7-8-13(18)20-15/h3-8H,9H2,1-2H3,(H,19,22).
What are the key properties of 3,6-dichloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-2-carboxamide?
3,6-dichloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 352.22 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 26772614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).