N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide

C22H24N4O3 — CID 109164382

IUPACN-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(N(C)C)cc3)nc2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-26(2)18-9-6-16(7-10-18)24-21-12-5-15(14-23-21)22(27)25-17-8-11-19(28-3)20(13-17)29-4/h5-14H,1-4H3,(H,23,24)(H,25,27)
InChIKeyVAMOTENFYXVKLF-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.16
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide

N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide (PubChem CID 109164382) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
PubChem CID109164382
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(N(C)C)cc3)nc2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-26(2)18-9-6-16(7-10-18)24-21-12-5-15(14-23-21)22(27)25-17-8-11-19(28-3)20(13-17)29-4/h5-14H,1-4H3,(H,23,24)(H,25,27)
InChIKeyVAMOTENFYXVKLF-UHFFFAOYSA-N
XLogP4.16
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]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

methyl 4-[[6-[4-(dimethylamino)anilino]pyridine-3-carbonyl]amino]benzoate
CID 109164647
N-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109164154
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109129724
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
6-[4-(dimethylamino)anilino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164189
6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109162280
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164675
6-[4-(dimethylamino)anilino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157204
N-(3,4-dimethoxyphenyl)-6-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109164098
N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162326
N-(2-chlorophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109163378
6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109162615

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide (CID 109164382) is N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(Nc3ccc(N(C)C)cc3)nc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide?
The InChIKey is VAMOTENFYXVKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-26(2)18-9-6-16(7-10-18)24-21-12-5-15(14-23-21)22(27)25-17-8-11-19(28-3)20(13-17)29-4/h5-14H,1-4H3,(H,23,24)(H,25,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109164382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).