N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide

C17H21N3O — CID 109020395

IUPACN-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide
SMILESCN(Cc1ccccc1)C(=O)CCNCc1cccnc1
InChIInChI=1S/C17H21N3O/c1-20(14-15-6-3-2-4-7-15)17(21)9-11-19-13-16-8-5-10-18-12-16/h2-8,10,12,19H,9,11,13-14H2,1H3
InChIKeyQJBIKMKOXUBPSO-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.22
Rot. Bonds7

About N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide

N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide (PubChem CID 109020395) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide
PubChem CID109020395
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide
SMILESCN(Cc1ccccc1)C(=O)CCNCc1cccnc1
InChIInChI=1S/C17H21N3O/c1-20(14-15-6-3-2-4-7-15)17(21)9-11-19-13-16-8-5-10-18-12-16/h2-8,10,12,19H,9,11,13-14H2,1H3
InChIKeyQJBIKMKOXUBPSO-UHFFFAOYSA-N
XLogP2.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-methyl-3-(propylamino)propanamide
CID 109011497
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139894
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
N-benzyl-3-(butylamino)-N-methylpropanamide
CID 109012383
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676
4-bromo-N-[3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropyl]benzamide
CID 78770733
N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 110743929
N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023651
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide?
The IUPAC name of N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide (CID 109020395) is N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide is CN(Cc1ccccc1)C(=O)CCNCc1cccnc1.
What is the InChIKey of N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide?
The InChIKey is QJBIKMKOXUBPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20(14-15-6-3-2-4-7-15)17(21)9-11-19-13-16-8-5-10-18-12-16/h2-8,10,12,19H,9,11,13-14H2,1H3.
What are the key properties of N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide?
N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide has a molecular weight of 283.38 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide is sourced from PubChem (CID 109020395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).