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

C17H17N3O2 — CID 3169988

IUPAC2-cyano-N-(4-ethoxyphenyl)-3-pyridin-3-ylpropanamide
SMILESCCOc1ccc(NC(=O)C(C#N)Cc2cccnc2)cc1
InChIInChI=1S/C17H17N3O2/c1-2-22-16-7-5-15(6-8-16)20-17(21)14(11-18)10-13-4-3-9-19-12-13/h3-9,12,14H,2,10H2,1H3,(H,20,21)
InChIKeyQZNHMZWARZHAPJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.80
Rot. Bonds6

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

2-cyano-N-(4-ethoxyphenyl)-3-pyridin-3-ylpropanamide (PubChem CID 3169988) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-cyano-N-(4-ethoxyphenyl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(4-ethoxyphenyl)-3-pyridin-3-ylpropanamide
PubChem CID3169988
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-cyano-N-(4-ethoxyphenyl)-3-pyridin-3-ylpropanamide
SMILESCCOc1ccc(NC(=O)C(C#N)Cc2cccnc2)cc1
InChIInChI=1S/C17H17N3O2/c1-2-22-16-7-5-15(6-8-16)20-17(21)14(11-18)10-13-4-3-9-19-12-13/h3-9,12,14H,2,10H2,1H3,(H,20,21)
InChIKeyQZNHMZWARZHAPJ-UHFFFAOYSA-N
XLogP2.80
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide
CID 3313060
(2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide
CID 863695
N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191396
N'-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)propanediamide
CID 108947690
2-(4-ethoxyphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 46669161
2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 15168845
2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid
CID 82344800
(2R)-2-cyano-3-[4-[(3,4-dichlorophenoxy)methyl]-3-ethoxyphenyl]-N-(3-ethoxyphenyl)propanamide
CID 27876869
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea
CID 972166
[2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 649387
N-(4-acetamidophenyl)-2-(4-chlorophenyl)-3-pyridin-3-ylpropanamide
CID 110296801

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-ethoxyphenyl)-3-pyridin-3-ylpropanamide?
The IUPAC name of 2-cyano-N-(4-ethoxyphenyl)-3-pyridin-3-ylpropanamide (CID 3169988) is 2-cyano-N-(4-ethoxyphenyl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-cyano-N-(4-ethoxyphenyl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for 2-cyano-N-(4-ethoxyphenyl)-3-pyridin-3-ylpropanamide is CCOc1ccc(NC(=O)C(C#N)Cc2cccnc2)cc1.
What is the InChIKey of 2-cyano-N-(4-ethoxyphenyl)-3-pyridin-3-ylpropanamide?
The InChIKey is QZNHMZWARZHAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-22-16-7-5-15(6-8-16)20-17(21)14(11-18)10-13-4-3-9-19-12-13/h3-9,12,14H,2,10H2,1H3,(H,20,21).
What are the key properties of 2-cyano-N-(4-ethoxyphenyl)-3-pyridin-3-ylpropanamide?
2-cyano-N-(4-ethoxyphenyl)-3-pyridin-3-ylpropanamide has a molecular weight of 295.34 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-ethoxyphenyl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 3169988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).