5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

C22H24N4O2 — CID 109234453

IUPAC5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncc(Nc3ccc(N(C)C)cc3)c2)cc1
InChIInChI=1S/C22H24N4O2/c1-26(2)20-8-6-18(7-9-20)25-19-12-17(14-23-15-19)22(27)24-13-16-4-10-21(28-3)11-5-16/h4-12,14-15,25H,13H2,1-3H3,(H,24,27)
InChIKeyPYUUGOJNZVWGCK-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.83
Rot. Bonds7

About 5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109234453) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID109234453
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncc(Nc3ccc(N(C)C)cc3)c2)cc1
InChIInChI=1S/C22H24N4O2/c1-26(2)20-8-6-18(7-9-20)25-19-12-17(14-23-15-19)22(27)24-13-16-4-10-21(28-3)11-5-16/h4-12,14-15,25H,13H2,1-3H3,(H,24,27)
InChIKeyPYUUGOJNZVWGCK-UHFFFAOYSA-N
XLogP3.83
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-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

N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109234623
5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234433
5-[(4-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109234472
5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234458
2-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329366
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 110851643
5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234998
5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236480
N-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109234037
5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236857
5-N-(4-methoxyphenyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106154
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109237906

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 109234453) is 5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2cncc(Nc3ccc(N(C)C)cc3)c2)cc1.
What is the InChIKey of 5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is PYUUGOJNZVWGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-26(2)20-8-6-18(7-9-20)25-19-12-17(14-23-15-19)22(27)24-13-16-4-10-21(28-3)11-5-16/h4-12,14-15,25H,13H2,1-3H3,(H,24,27).
What are the key properties of 5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109234453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).