2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide

C16H19N3O — CID 43563682

IUPAC2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCN(Cc1cccnc1)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H19N3O/c1-19(12-14-8-5-9-18-11-14)16(20)15(17)10-13-6-3-2-4-7-13/h2-9,11,15H,10,12,17H2,1H3
InChIKeyJGZXVFUAQDEJQG-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.61
Rot. Bonds5

About 2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide

2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 43563682) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID43563682
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCN(Cc1cccnc1)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H19N3O/c1-19(12-14-8-5-9-18-11-14)16(20)15(17)10-13-6-3-2-4-7-13/h2-9,11,15H,10,12,17H2,1H3
InChIKeyJGZXVFUAQDEJQG-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 61155412
2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide
CID 54928060
2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride
CID 119958250
3-amino-2-hydroxy-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 115180694
(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119266895
(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61155588
2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119834031
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 28802517
2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 43211990
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide (CID 43563682) is 2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide is CN(Cc1cccnc1)C(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is JGZXVFUAQDEJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(12-14-8-5-9-18-11-14)16(20)15(17)10-13-6-3-2-4-7-13/h2-9,11,15H,10,12,17H2,1H3.
What are the key properties of 2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 269.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 43563682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).