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

C15H17N3O — CID 110471313

IUPACN-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide
SMILESCN(C)c1ccccc1CNC(=O)c1ccncc1
InChIInChI=1S/C15H17N3O/c1-18(2)14-6-4-3-5-13(14)11-17-15(19)12-7-9-16-10-8-12/h3-10H,11H2,1-2H3,(H,17,19)
InChIKeyWYXGDCJXXDAJGV-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.08
Rot. Bonds4

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

N-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 110471313) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide
PubChem CID110471313
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide
SMILESCN(C)c1ccccc1CNC(=O)c1ccncc1
InChIInChI=1S/C15H17N3O/c1-18(2)14-6-4-3-5-13(14)11-17-15(19)12-7-9-16-10-8-12/h3-10H,11H2,1-2H3,(H,17,19)
InChIKeyWYXGDCJXXDAJGV-UHFFFAOYSA-N
XLogP2.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid
CID 81317965
N-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide
CID 110470326
3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide
CID 110474429
N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide
CID 110471616
N-[(2-phenylphenyl)methyl]pyridine-4-carboxamide
CID 23497805
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
4-(dimethylamino)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 110473275
1-N-[(2-fluorophenyl)methyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109047167
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051
N-[2-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926052
N-[(5-bromo-2-methylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110787166
2-N-[(2-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085604

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide (CID 110471313) is N-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide is CN(C)c1ccccc1CNC(=O)c1ccncc1.
What is the InChIKey of N-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is WYXGDCJXXDAJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-18(2)14-6-4-3-5-13(14)11-17-15(19)12-7-9-16-10-8-12/h3-10H,11H2,1-2H3,(H,17,19).
What are the key properties of N-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide?
N-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 110471313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).