3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide

C23H25N3O — CID 112983707

IUPAC3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N(C)CCc3ccncc3)cc2)cc1C
InChIInChI=1S/C23H25N3O/c1-17-4-5-20(16-18(17)2)23(27)25-21-6-8-22(9-7-21)26(3)15-12-19-10-13-24-14-11-19/h4-11,13-14,16H,12,15H2,1-3H3,(H,25,27)
InChIKeyAZMVDUVQVLPLAQ-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.63
Rot. Bonds6

About 3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide

3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide (PubChem CID 112983707) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
PubChem CID112983707
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N(C)CCc3ccncc3)cc2)cc1C
InChIInChI=1S/C23H25N3O/c1-17-4-5-20(16-18(17)2)23(27)25-21-6-8-22(9-7-21)26(3)15-12-19-10-13-24-14-11-19/h4-11,13-14,16H,12,15H2,1-3H3,(H,25,27)
InChIKeyAZMVDUVQVLPLAQ-UHFFFAOYSA-N
XLogP4.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237137
3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide
CID 113042844
N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]propanamide
CID 112983683
N-(4-fluorophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237107
N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109159164
2-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
CID 112983699
N-(4-methoxyphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237121
5-[methyl(2-pyridin-4-ylethyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109237100
1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone
CID 60913050
N-(3,5-dimethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192971
2-chloro-6-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
CID 112983725
N-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237130

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide (CID 112983707) is 3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(N(C)CCc3ccncc3)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide?
The InChIKey is AZMVDUVQVLPLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17-4-5-20(16-18(17)2)23(27)25-21-6-8-22(9-7-21)26(3)15-12-19-10-13-24-14-11-19/h4-11,13-14,16H,12,15H2,1-3H3,(H,25,27).
What are the key properties of 3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide?
3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide has a molecular weight of 359.47 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide is sourced from PubChem (CID 112983707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).