2-(2-cyanoanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide

C21H18N4O2 — CID 109178127

IUPAC2-(2-cyanoanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(Nc2ccccc2C#N)c1
InChIInChI=1S/C21H18N4O2/c1-2-27-19-10-6-5-9-18(19)25-21(26)15-11-12-23-20(13-15)24-17-8-4-3-7-16(17)14-22/h3-13H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyNEDAIUNKSLEIJU-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.35
Rot. Bonds6

About 2-(2-cyanoanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide

2-(2-cyanoanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide (PubChem CID 109178127) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-(2-cyanoanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanoanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide
PubChem CID109178127
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name2-(2-cyanoanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(Nc2ccccc2C#N)c1
InChIInChI=1S/C21H18N4O2/c1-2-27-19-10-6-5-9-18(19)25-21(26)15-11-12-23-20(13-15)24-17-8-4-3-7-16(17)14-22/h3-13H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyNEDAIUNKSLEIJU-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

N-(2-ethoxyphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177245
2-(4-acetylanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 109178114
N-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)pyridine-4-carboxamide
CID 109177830
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109178899
2-(2-cyanoanilino)-N-(3,5-dichlorophenyl)pyridine-4-carboxamide
CID 109178950
N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109269736
N-(2-cyanophenyl)-2-[4-(diethylamino)anilino]pyridine-4-carboxamide
CID 109178717
N-(2-cyanophenyl)-3,4,5-triethoxybenzamide
CID 3256014
N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955712
2-(2-ethoxyanilino)pyridine-4-carbonitrile
CID 24704594
2-(2-ethoxyanilino)-N,N-diethylpyridine-4-carboxamide
CID 109174723
2-[[4-(2-ethoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112904858

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-cyanoanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide (CID 109178127) is 2-(2-cyanoanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanoanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-cyanoanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide is CCOc1ccccc1NC(=O)c1ccnc(Nc2ccccc2C#N)c1.
What is the InChIKey of 2-(2-cyanoanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide?
The InChIKey is NEDAIUNKSLEIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-2-27-19-10-6-5-9-18(19)25-21(26)15-11-12-23-20(13-15)24-17-8-4-3-7-16(17)14-22/h3-13H,2H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-(2-cyanoanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide?
2-(2-cyanoanilino)-N-(2-ethoxyphenyl)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 2-(2-cyanoanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109178127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).