2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide

C16H15N3O2 — CID 3169981

IUPAC2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide
SMILESCOc1ccccc1NC(=O)C(C#N)Cc1ccncc1
InChIInChI=1S/C16H15N3O2/c1-21-15-5-3-2-4-14(15)19-16(20)13(11-17)10-12-6-8-18-9-7-12/h2-9,13H,10H2,1H3,(H,19,20)
InChIKeyXIAFRSMFTZNRLT-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.41
Rot. Bonds5

About 2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide

2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide (PubChem CID 3169981) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide
PubChem CID3169981
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide
SMILESCOc1ccccc1NC(=O)C(C#N)Cc1ccncc1
InChIInChI=1S/C16H15N3O2/c1-21-15-5-3-2-4-14(15)19-16(20)13(11-17)10-12-6-8-18-9-7-12/h2-9,13H,10H2,1H3,(H,19,20)
InChIKeyXIAFRSMFTZNRLT-UHFFFAOYSA-N
XLogP2.41
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide
CID 763342
(2R)-2-cyano-N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 5413283
(2S)-2-cyano-N-(2-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide
CID 7303724
1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 974359
2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide
CID 3313060
(2R)-2-cyano-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 1140234
3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
CID 82114035
2-(2-methoxyphenyl)-3-pyridin-4-ylpropanenitrile
CID 82084081
2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide
CID 4674478
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 7478119
(2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide
CID 763346
(2S)-2-cyano-N-(2-ethoxyphenyl)-3-thiophen-2-ylpropanamide
CID 863429

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide?
The IUPAC name of 2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide (CID 3169981) is 2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for 2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide is COc1ccccc1NC(=O)C(C#N)Cc1ccncc1.
What is the InChIKey of 2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide?
The InChIKey is XIAFRSMFTZNRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-15-5-3-2-4-14(15)19-16(20)13(11-17)10-12-6-8-18-9-7-12/h2-9,13H,10H2,1H3,(H,19,20).
What are the key properties of 2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide?
2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide has a molecular weight of 281.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 3169981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).