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

C17H21N3O — CID 109023524

IUPAC3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1cccc(NCCC(=O)NCc2cccnc2)c1C
InChIInChI=1S/C17H21N3O/c1-13-5-3-7-16(14(13)2)19-10-8-17(21)20-12-15-6-4-9-18-11-15/h3-7,9,11,19H,8,10,12H2,1-2H3,(H,20,21)
InChIKeyNLZMHZWFKYGTNF-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.82
Rot. Bonds6

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

3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 109023524) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID109023524
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1cccc(NCCC(=O)NCc2cccnc2)c1C
InChIInChI=1S/C17H21N3O/c1-13-5-3-7-16(14(13)2)19-10-8-17(21)20-12-15-6-4-9-18-11-15/h3-7,9,11,19H,8,10,12H2,1-2H3,(H,20,21)
InChIKeyNLZMHZWFKYGTNF-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-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023536
2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999506
3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023616
3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide
CID 109023591
N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109019088
3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 51162022
3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide
CID 109023573
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113142594
(2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide
CID 119860208
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
1-(pyridin-3-ylmethyl)-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974281
3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023612

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide (CID 109023524) is 3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide is Cc1cccc(NCCC(=O)NCc2cccnc2)c1C.
What is the InChIKey of 3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is NLZMHZWFKYGTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-5-3-7-16(14(13)2)19-10-8-17(21)20-12-15-6-4-9-18-11-15/h3-7,9,11,19H,8,10,12H2,1-2H3,(H,20,21).
What are the key properties of 3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide?
3-(2,3-dimethylanilino)-N-(pyridin-3-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-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 109023524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).