N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide

C21H18N4O2 — CID 109178212

IUPACN-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide
SMILESCCOc1ccc(Nc2cc(C(=O)Nc3ccc(C#N)cc3)ccn2)cc1
InChIInChI=1S/C21H18N4O2/c1-2-27-19-9-7-17(8-10-19)24-20-13-16(11-12-23-20)21(26)25-18-5-3-15(14-22)4-6-18/h3-13H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyMFVYINNESJZYHS-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.35
Rot. Bonds6

About N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide

N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide (PubChem CID 109178212) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide
PubChem CID109178212
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide
SMILESCCOc1ccc(Nc2cc(C(=O)Nc3ccc(C#N)cc3)ccn2)cc1
InChIInChI=1S/C21H18N4O2/c1-2-27-19-9-7-17(8-10-19)24-20-13-16(11-12-23-20)21(26)25-18-5-3-15(14-22)4-6-18/h3-13H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyMFVYINNESJZYHS-UHFFFAOYSA-N
XLogP4.35
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057669
6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359086
2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109178168
2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109178333
2-(4-ethoxyanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177953
N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
CID 109178483
2-(4-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109177130
N-(4-cyanophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62249045
2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109176595
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide
CID 109178749
ethyl 4-[[4-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 46283329
2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyridine-4-carboxamide
CID 109179026

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide (CID 109178212) is N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide is CCOc1ccc(Nc2cc(C(=O)Nc3ccc(C#N)cc3)ccn2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide?
The InChIKey is MFVYINNESJZYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-2-27-19-9-7-17(8-10-19)24-20-13-16(11-12-23-20)21(26)25-18-5-3-15(14-22)4-6-18/h3-13H,2H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide?
N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109178212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).