2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide

C16H18ClN3O — CID 108999536

IUPAC2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc(C)c(NCC(=O)NCc2cccnc2)c(Cl)c1
InChIInChI=1S/C16H18ClN3O/c1-11-6-12(2)16(14(17)7-11)20-10-15(21)19-9-13-4-3-5-18-8-13/h3-8,20H,9-10H2,1-2H3,(H,19,21)
InChIKeyXHZUSYNVYRQWCC-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.08
Rot. Bonds5

About 2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide

2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 108999536) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID108999536
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc(C)c(NCC(=O)NCc2cccnc2)c(Cl)c1
InChIInChI=1S/C16H18ClN3O/c1-11-6-12(2)16(14(17)7-11)20-10-15(21)19-9-13-4-3-5-18-8-13/h3-8,20H,9-10H2,1-2H3,(H,19,21)
InChIKeyXHZUSYNVYRQWCC-UHFFFAOYSA-N
XLogP3.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999506
N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1210518
2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999597
N-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283431
N-[(3-methylphenyl)methyl]-2-(2,4,6-trimethylanilino)acetamide
CID 108996939
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 17401622
2-pyridin-3-yl-N-(2,4,6-trimethylphenyl)acetamide
CID 110697139
3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide
CID 109106036
4-(2-chloro-4,6-dimethylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108589
2-N-(2-chloro-4,6-dimethylphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893482
N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945626
methyl 5,7-dichloro-4-[[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]amino]naphthalene-2-carboxylate
CID 71283621

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide (CID 108999536) is 2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide is Cc1cc(C)c(NCC(=O)NCc2cccnc2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is XHZUSYNVYRQWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-6-12(2)16(14(17)7-11)20-10-15(21)19-9-13-4-3-5-18-8-13/h3-8,20H,9-10H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide?
2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 303.79 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 108999536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).