2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide

C18H21N3O2 — CID 113168470

IUPAC2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccncc1)c1cc(C)cc(C)c1
InChIInChI=1S/C18H21N3O2/c1-13-8-14(2)10-17(9-13)21(15(3)22)12-18(23)20-11-16-4-6-19-7-5-16/h4-10H,11-12H2,1-3H3,(H,20,23)
InChIKeySCJLKIORQFJARP-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.37
Rot. Bonds5

About 2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide

2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 113168470) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID113168470
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccncc1)c1cc(C)cc(C)c1
InChIInChI=1S/C18H21N3O2/c1-13-8-14(2)10-17(9-13)21(15(3)22)12-18(23)20-11-16-4-6-19-7-5-16/h4-10H,11-12H2,1-3H3,(H,20,23)
InChIKeySCJLKIORQFJARP-UHFFFAOYSA-N
XLogP2.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-4-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113169785
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 113175276
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113178426
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113178253
2-(N-acetyl-3,5-dimethylanilino)-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113168466
2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113169052
2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113179578
2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113174544
2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113177799
2-(N-acetyl-3,5-dimethylanilino)-N-(2-methylpropyl)acetamide
CID 113168434
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113180325
2-(N-acetyl-3-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113172188

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide (CID 113168470) is 2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide is CC(=O)N(CC(=O)NCc1ccncc1)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is SCJLKIORQFJARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-8-14(2)10-17(9-13)21(15(3)22)12-18(23)20-11-16-4-6-19-7-5-16/h4-10H,11-12H2,1-3H3,(H,20,23).
What are the key properties of 2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide?
2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 311.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 113168470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).