3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide

C17H21N3O — CID 109023214

IUPAC3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1cccc(C)c1NCCC(=O)NCc1ccccn1
InChIInChI=1S/C17H21N3O/c1-13-6-5-7-14(2)17(13)19-11-9-16(21)20-12-15-8-3-4-10-18-15/h3-8,10,19H,9,11-12H2,1-2H3,(H,20,21)
InChIKeyNEFMNEVKMYWOIQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.82
Rot. Bonds6

About 3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide

3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 109023214) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID109023214
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1cccc(C)c1NCCC(=O)NCc1ccccn1
InChIInChI=1S/C17H21N3O/c1-13-6-5-7-14(2)17(13)19-11-9-16(21)20-12-15-8-3-4-10-18-15/h3-8,10,19H,9,11-12H2,1-2H3,(H,20,21)
InChIKeyNEFMNEVKMYWOIQ-UHFFFAOYSA-N
XLogP2.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023219
2-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999251
4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 127115863
3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023245
3-(N-acetyl-2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113124845
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 75480750
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
3-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023302
2-chloro-4,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 86798698
3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 75509069

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide (CID 109023214) is 3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide is Cc1cccc(C)c1NCCC(=O)NCc1ccccn1.
What is the InChIKey of 3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is NEFMNEVKMYWOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-6-5-7-14(2)17(13)19-11-9-16(21)20-12-15-8-3-4-10-18-15/h3-8,10,19H,9,11-12H2,1-2H3,(H,20,21).
What are the key properties of 3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide?
3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 283.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 109023214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).