6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide

C22H20N4O3 — CID 109159955

IUPAC6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Nc3ccccc3C#N)nc2)cc1OC
InChIInChI=1S/C22H20N4O3/c1-28-19-9-7-15(11-20(19)29-2)13-25-22(27)17-8-10-21(24-14-17)26-18-6-4-3-5-16(18)12-23/h3-11,14H,13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyFVBPIYUUSKZOKR-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.64
Rot. Bonds7

About 6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide

6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109159955) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID109159955
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Nc3ccccc3C#N)nc2)cc1OC
InChIInChI=1S/C22H20N4O3/c1-28-19-9-7-15(11-20(19)29-2)13-25-22(27)17-8-10-21(24-14-17)26-18-6-4-3-5-16(18)12-23/h3-11,14H,13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyFVBPIYUUSKZOKR-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

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Related Compounds

6-(2-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109159947
6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157211
N-(1,3-benzodioxol-5-ylmethyl)-6-(2-cyanoanilino)pyridine-3-carboxamide
CID 109157521
N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109164373
N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 109159951
6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109164359
N-[(3,4-dimethoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157851
6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide
CID 109161463
2-[[3-[(3,4-dimethoxyphenyl)methylamino]-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112956457
6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109159891
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylanilino)pyridine-4-carboxamide
CID 109173888
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109123487

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide (CID 109159955) is 6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2ccc(Nc3ccccc3C#N)nc2)cc1OC.
What is the InChIKey of 6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is FVBPIYUUSKZOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-28-19-9-7-15(11-20(19)29-2)13-25-22(27)17-8-10-21(24-14-17)26-18-6-4-3-5-16(18)12-23/h3-11,14H,13H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide?
6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-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 6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109159955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).