N'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide

C17H19N3O2 — CID 108946043

IUPACN'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide
SMILESCN(Cc1ccccc1)C(=O)CC(=O)NCc1ccncc1
InChIInChI=1S/C17H19N3O2/c1-20(13-15-5-3-2-4-6-15)17(22)11-16(21)19-12-14-7-9-18-10-8-14/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyJNLMWJMFCFMKIS-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.75
Rot. Bonds6

About N'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide

N'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide (PubChem CID 108946043) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide.

Molecular Properties

Compound NameN'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide
PubChem CID108946043
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide
SMILESCN(Cc1ccccc1)C(=O)CC(=O)NCc1ccncc1
InChIInChI=1S/C17H19N3O2/c1-20(13-15-5-3-2-4-6-15)17(22)11-16(21)19-12-14-7-9-18-10-8-14/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyJNLMWJMFCFMKIS-UHFFFAOYSA-N
XLogP1.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047086
6-N-benzyl-6-N-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097660
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-benzyl-N'-butyl-N'-methylpropanediamide
CID 108945252
2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 133214013
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 43564524
[methyl-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]carbamoyl] 3-phenylpropaneperoxoate
CID 56985373
1-benzyl-1-methyl-3-pyridin-4-ylurea
CID 47385426
N-methyl-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 110724771
2-[methylsulfonyl(2-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 963773
N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
CID 108984872

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide?
The IUPAC name of N'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide (CID 108946043) is N'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide.
What is the SMILES notation for N'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide?
The canonical SMILES for N'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide is CN(Cc1ccccc1)C(=O)CC(=O)NCc1ccncc1.
What is the InChIKey of N'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide?
The InChIKey is JNLMWJMFCFMKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-20(13-15-5-3-2-4-6-15)17(22)11-16(21)19-12-14-7-9-18-10-8-14/h2-10H,11-13H2,1H3,(H,19,21).
What are the key properties of N'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide?
N'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide has a molecular weight of 297.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide is sourced from PubChem (CID 108946043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).