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

C18H23N3O — CID 109023305

IUPAC3-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESCCN(CCC(=O)NCc1ccccn1)c1cccc(C)c1
InChIInChI=1S/C18H23N3O/c1-3-21(17-9-6-7-15(2)13-17)12-10-18(22)20-14-16-8-4-5-11-19-16/h4-9,11,13H,3,10,12,14H2,1-2H3,(H,20,22)
InChIKeyPTLAJOZYFYEPAC-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.92
Rot. Bonds7

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

3-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 109023305) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID109023305
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESCCN(CCC(=O)NCc1ccccn1)c1cccc(C)c1
InChIInChI=1S/C18H23N3O/c1-3-21(17-9-6-7-15(2)13-17)12-10-18(22)20-14-16-8-4-5-11-19-16/h4-9,11,13H,3,10,12,14H2,1-2H3,(H,20,22)
InChIKeyPTLAJOZYFYEPAC-UHFFFAOYSA-N
XLogP2.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113141766
1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970021
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109055053
2-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307163
N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
CID 109039794
3-(N-acetyl-2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113124845
3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109042852
N-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109307019
3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113115749
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
N',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide
CID 4566604

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)propanamide (CID 109023305) is 3-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)propanamide is CCN(CCC(=O)NCc1ccccn1)c1cccc(C)c1.
What is the InChIKey of 3-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is PTLAJOZYFYEPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-21(17-9-6-7-15(2)13-17)12-10-18(22)20-14-16-8-4-5-11-19-16/h4-9,11,13H,3,10,12,14H2,1-2H3,(H,20,22).
What are the key properties of 3-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)propanamide?
3-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 297.40 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 109023305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).