3-(N-acetyl-2,3-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide

C19H23N3O2 — CID 113125018

IUPAC3-(N-acetyl-2,3-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccn1)c1cccc(C)c1C
InChIInChI=1S/C19H23N3O2/c1-14-7-6-9-18(15(14)2)22(16(3)23)12-10-19(24)21-13-17-8-4-5-11-20-17/h4-9,11H,10,12-13H2,1-3H3,(H,21,24)
InChIKeyQFLHFOJJSNLFDQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.76
Rot. Bonds6

About 3-(N-acetyl-2,3-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide

3-(N-acetyl-2,3-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 113125018) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(N-acetyl-2,3-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,3-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID113125018
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-(N-acetyl-2,3-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccn1)c1cccc(C)c1C
InChIInChI=1S/C19H23N3O2/c1-14-7-6-9-18(15(14)2)22(16(3)23)12-10-19(24)21-13-17-8-4-5-11-20-17/h4-9,11H,10,12-13H2,1-3H3,(H,21,24)
InChIKeyQFLHFOJJSNLFDQ-UHFFFAOYSA-N
XLogP2.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113124845
3-(N-acetyl-5-chloro-2-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113127697
methyl 4-[acetyl-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]amino]benzoate
CID 113131495
3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113125073
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113120171
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1160770
3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023214
3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113115749
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113119443
2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113178011
4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 127115863
3-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023305

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,3-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,3-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide (CID 113125018) is 3-(N-acetyl-2,3-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,3-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,3-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide is CC(=O)N(CCC(=O)NCc1ccccn1)c1cccc(C)c1C.
What is the InChIKey of 3-(N-acetyl-2,3-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is QFLHFOJJSNLFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-7-6-9-18(15(14)2)22(16(3)23)12-10-19(24)21-13-17-8-4-5-11-20-17/h4-9,11H,10,12-13H2,1-3H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2,3-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide?
3-(N-acetyl-2,3-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 325.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,3-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 113125018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).