3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide

C23H25N3O — CID 110122025

IUPAC3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ncccc2-c2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C23H25N3O/c1-17-9-11-18(12-10-17)15-25-23(27)22-21(8-5-13-24-22)20-7-4-6-19(14-20)16-26(2)3/h4-14H,15-16H2,1-3H3,(H,25,27)
InChIKeySQGHCDKJTTVGLB-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.05
Rot. Bonds6

About 3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide

3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 110122025) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID110122025
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ncccc2-c2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C23H25N3O/c1-17-9-11-18(12-10-17)15-25-23(27)22-21(8-5-13-24-22)20-7-4-6-19(14-20)16-26(2)3/h4-14H,15-16H2,1-3H3,(H,25,27)
InChIKeySQGHCDKJTTVGLB-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 110122105
3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide
CID 110122033
N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide
CID 5274904
1-[3-[3-[(dimethylamino)methyl]phenyl]pyridine-2-carbonyl]piperidine-4-carboxamide
CID 110122030
3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide
CID 119041971
3-[3-(acetamidomethyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]pyridine-2-carboxamide
CID 110122093
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]pyridine-2-carboxamide
CID 47021287
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-hydroxypyridine-2-carboxamide
CID 167841465
N-methyl-1-(4-methylphenyl)-N-[(3-pyrimidin-2-ylphenyl)methyl]methanamine
CID 91424656
3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide
CID 104741972
4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid
CID 62341325

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide (CID 110122025) is 3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide is Cc1ccc(CNC(=O)c2ncccc2-c2cccc(CN(C)C)c2)cc1.
What is the InChIKey of 3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is SQGHCDKJTTVGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17-9-11-18(12-10-17)15-25-23(27)22-21(8-5-13-24-22)20-7-4-6-19(14-20)16-26(2)3/h4-14H,15-16H2,1-3H3,(H,25,27).
What are the key properties of 3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 110122025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).