3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide

C18H23N3O — CID 109023219

IUPAC3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESCCc1cccc(C)c1NCCC(=O)NCc1ccccn1
InChIInChI=1S/C18H23N3O/c1-3-15-8-6-7-14(2)18(15)20-12-10-17(22)21-13-16-9-4-5-11-19-16/h4-9,11,20H,3,10,12-13H2,1-2H3,(H,21,22)
InChIKeyNBYIRCGHTOXFGR-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.07
Rot. Bonds7

About 3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide

3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 109023219) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID109023219
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESCCc1cccc(C)c1NCCC(=O)NCc1ccccn1
InChIInChI=1S/C18H23N3O/c1-3-15-8-6-7-14(2)18(15)20-12-10-17(22)21-13-16-9-4-5-11-19-16/h4-9,11,20H,3,10,12-13H2,1-2H3,(H,21,22)
InChIKeyNBYIRCGHTOXFGR-UHFFFAOYSA-N
XLogP3.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023214
2-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999251
3-(2-ethyl-6-methylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019154
3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022011
N-butyl-3-(2-ethyl-6-methylanilino)propanamide
CID 109012269
N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023379
N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108511400
3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023245
2-(2-ethylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999248
N-(2-ethyl-6-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306939
4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 127115863
3-(N-acetyl-2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113124845

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide (CID 109023219) is 3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide is CCc1cccc(C)c1NCCC(=O)NCc1ccccn1.
What is the InChIKey of 3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is NBYIRCGHTOXFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-15-8-6-7-14(2)18(15)20-12-10-17(22)21-13-16-9-4-5-11-19-16/h4-9,11,20H,3,10,12-13H2,1-2H3,(H,21,22).
What are the key properties of 3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide?
3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 297.40 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 109023219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).