4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide

C22H31N3O — CID 50948158

IUPAC4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCCCN(CCC)Cc1ccc(C(=O)N(CC)Cc2ccccn2)cc1
InChIInChI=1S/C22H31N3O/c1-4-15-24(16-5-2)17-19-10-12-20(13-11-19)22(26)25(6-3)18-21-9-7-8-14-23-21/h7-14H,4-6,15-18H2,1-3H3
InChIKeyOUMRVBGNZICBRQ-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.37
Rot. Bonds10

About 4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide

4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 50948158) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID50948158
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCCCN(CCC)Cc1ccc(C(=O)N(CC)Cc2ccccn2)cc1
InChIInChI=1S/C22H31N3O/c1-4-15-24(16-5-2)17-19-10-12-20(13-11-19)22(26)25(6-3)18-21-9-7-8-14-23-21/h7-14H,4-6,15-18H2,1-3H3
InChIKeyOUMRVBGNZICBRQ-UHFFFAOYSA-N
XLogP4.37
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 103755974
4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide
CID 86873559
N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 114037745
N-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide
CID 1057393
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084436
CID 59434890
CID 59434890
N-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide
CID 20850239
N,N-diethyl-4-[[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 110967511
3-amino-N-ethyl-5-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 81094441
3-amino-N-ethyl-N-(pyridin-2-ylmethyl)propanamide
CID 39241658
3-benzyl-N-propyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503111

Frequently Asked Questions

What is the IUPAC name of 4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide (CID 50948158) is 4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide is CCCN(CCC)Cc1ccc(C(=O)N(CC)Cc2ccccn2)cc1.
What is the InChIKey of 4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is OUMRVBGNZICBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-4-15-24(16-5-2)17-19-10-12-20(13-11-19)22(26)25(6-3)18-21-9-7-8-14-23-21/h7-14H,4-6,15-18H2,1-3H3.
What are the key properties of 4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide?
4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 353.51 g/mol, XLogP of 4.37, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 50948158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).