3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide

C22H21N3O2 — CID 50914021

IUPAC3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCc2cccc(C(=O)Nc3cccnc3)c2)c1
InChIInChI=1S/C22H21N3O2/c1-15-9-16(2)11-19(10-15)21(26)24-13-17-5-3-6-18(12-17)22(27)25-20-7-4-8-23-14-20/h3-12,14H,13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyCIBODORBVIUHAL-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.88
Rot. Bonds5

About 3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide

3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide (PubChem CID 50914021) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide
PubChem CID50914021
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCc2cccc(C(=O)Nc3cccnc3)c2)c1
InChIInChI=1S/C22H21N3O2/c1-15-9-16(2)11-19(10-15)21(26)24-13-17-5-3-6-18(12-17)22(27)25-20-7-4-8-23-14-20/h3-12,14H,13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyCIBODORBVIUHAL-UHFFFAOYSA-N
XLogP3.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055137
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106065
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 104851859
ethyl [4-[[3-[(pyridine-3-carbonylamino)methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108926226
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
1,3-dioxo-2-propan-2-yl-N-[[3-(pyridine-3-carbonylamino)phenyl]methyl]isoindole-5-carboxamide
CID 108926281

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide (CID 50914021) is 3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide is Cc1cc(C)cc(C(=O)NCc2cccc(C(=O)Nc3cccnc3)c2)c1.
What is the InChIKey of 3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide?
The InChIKey is CIBODORBVIUHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-9-16(2)11-19(10-15)21(26)24-13-17-5-3-6-18(12-17)22(27)25-20-7-4-8-23-14-20/h3-12,14H,13H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide?
3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide has a molecular weight of 359.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 50914021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).