5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide

C22H20N4O3 — CID 109193758

IUPAC5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Nc3ccc(C#N)cc3)cn2)cc1OC
InChIInChI=1S/C22H20N4O3/c1-28-20-10-5-16(11-21(20)29-2)13-25-22(27)19-9-8-18(14-24-19)26-17-6-3-15(12-23)4-7-17/h3-11,14,26H,13H2,1-2H3,(H,25,27)
InChIKeyYDKJYBYYAAYJGD-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.64
Rot. Bonds7

About 5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide

5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109193758) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID109193758
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Nc3ccc(C#N)cc3)cn2)cc1OC
InChIInChI=1S/C22H20N4O3/c1-28-20-10-5-16(11-21(20)29-2)13-25-22(27)19-9-8-18(14-24-19)26-17-6-3-15(12-23)4-7-17/h3-11,14,26H,13H2,1-2H3,(H,25,27)
InChIKeyYDKJYBYYAAYJGD-UHFFFAOYSA-N
XLogP3.64
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-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-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109190063
5-(2,6-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109193759
5-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109180086
N-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide
CID 104641090
5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179230
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188273
5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109200223
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide
CID 109215529
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189485
N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683588
5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63717646

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide (CID 109193758) is 5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2ccc(Nc3ccc(C#N)cc3)cn2)cc1OC.
What is the InChIKey of 5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is YDKJYBYYAAYJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-28-20-10-5-16(11-21(20)29-2)13-25-22(27)19-9-8-18(14-24-19)26-17-6-3-15(12-23)4-7-17/h3-11,14,26H,13H2,1-2H3,(H,25,27).
What are the key properties of 5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109193758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).