N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide

C21H18N4O3 — CID 109164373

IUPACN-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3ccccc3C#N)cn2)cc1OC
InChIInChI=1S/C21H18N4O3/c1-27-18-9-8-16(11-19(18)28-2)24-20-10-7-15(13-23-20)21(26)25-17-6-4-3-5-14(17)12-22/h3-11,13H,1-2H3,(H,23,24)(H,25,26)
InChIKeyDPFOXHJZYOQDDG-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.97
Rot. Bonds6

About N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide

N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide (PubChem CID 109164373) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
PubChem CID109164373
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3ccccc3C#N)cn2)cc1OC
InChIInChI=1S/C21H18N4O3/c1-27-18-9-8-16(11-19(18)28-2)24-20-10-7-15(13-23-20)21(26)25-17-6-4-3-5-14(17)12-22/h3-11,13H,1-2H3,(H,23,24)(H,25,26)
InChIKeyDPFOXHJZYOQDDG-UHFFFAOYSA-N
XLogP3.97
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109163225
N-(2-chlorophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109163378
6-(3,4-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109162791
N-(2-cyanophenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109164997
6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109164359
6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109159955
6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109162615
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113022770
N-(3,4-dimethoxyphenyl)-6-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109164098
N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337762
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164382

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide (CID 109164373) is N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide is COc1ccc(Nc2ccc(C(=O)Nc3ccccc3C#N)cn2)cc1OC.
What is the InChIKey of N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide?
The InChIKey is DPFOXHJZYOQDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-18-9-8-16(11-19(18)28-2)24-20-10-7-15(13-23-20)21(26)25-17-6-4-3-5-14(17)12-22/h3-11,13H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide?
N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109164373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).