3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide

C16H19N3O — CID 39368333

IUPAC3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1ccc(N(Cc2cccnc2)C(=O)CCN)cc1
InChIInChI=1S/C16H19N3O/c1-13-4-6-15(7-5-13)19(16(20)8-9-17)12-14-3-2-10-18-11-14/h2-7,10-11H,8-9,12,17H2,1H3
InChIKeyUBNAIOYTOMMGEL-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.27
Rot. Bonds5

About 3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide

3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 39368333) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID39368333
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1ccc(N(Cc2cccnc2)C(=O)CCN)cc1
InChIInChI=1S/C16H19N3O/c1-13-4-6-15(7-5-13)19(16(20)8-9-17)12-14-3-2-10-18-11-14/h2-7,10-11H,8-9,12,17H2,1H3
InChIKeyUBNAIOYTOMMGEL-UHFFFAOYSA-N
XLogP2.27
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360399
3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360430
4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 110618743
ethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate
CID 110361011
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110360406
N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide
CID 110613065
N-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 28768964
ethyl 4-[[2-(2,4-dimethylphenoxy)acetyl]-(pyridin-3-ylmethyl)amino]benzoate
CID 22777024
N-(4-fluorophenyl)-2-(6-methyl-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide
CID 75416170
ethyl 4-[[2-(4-chlorophenoxy)acetyl]-(pyridin-3-ylmethyl)amino]benzoate
CID 22778176
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110360844
N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110360592

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide (CID 39368333) is 3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide is Cc1ccc(N(Cc2cccnc2)C(=O)CCN)cc1.
What is the InChIKey of 3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is UBNAIOYTOMMGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-13-4-6-15(7-5-13)19(16(20)8-9-17)12-14-3-2-10-18-11-14/h2-7,10-11H,8-9,12,17H2,1H3.
What are the key properties of 3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide?
3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 269.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 39368333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).