2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide

C17H18ClN3O2 — CID 31936113

IUPAC2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C17H18ClN3O2/c1-11-5-4-6-12(2)16(11)20-15(22)10-21(3)17(23)13-7-8-19-14(18)9-13/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyYKFPEEFJRPPLSZ-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.06
Rot. Bonds4

About 2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide

2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide (PubChem CID 31936113) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
PubChem CID31936113
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C17H18ClN3O2/c1-11-5-4-6-12(2)16(11)20-15(22)10-21(3)17(23)13-7-8-19-14(18)9-13/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyYKFPEEFJRPPLSZ-UHFFFAOYSA-N
XLogP3.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-N-methylpyridine-4-carboxamide
CID 47047686
3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9431379
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide
CID 9437901
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8500886
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 9011392
2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-5-methylsulfanylbenzamide
CID 27788246
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 9426086
3-(difluoromethoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8500895
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 78798770
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 9089493
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-ethoxy-N-methyl-4-propoxybenzamide
CID 26619678
4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086207

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide (CID 31936113) is 2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The InChIKey is YKFPEEFJRPPLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11-5-4-6-12(2)16(11)20-15(22)10-21(3)17(23)13-7-8-19-14(18)9-13/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of 2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 31936113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).