(2R)-2-cyano-3-(3-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpropanamide

C17H15N3O3 — CID 98506749

IUPAC(2R)-2-cyano-3-(3-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpropanamide
SMILESCCOc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)c1
InChIInChI=1S/C17H15N3O3/c1-2-23-13-7-5-6-12(10-13)16(21)14(11-18)17(22)20-15-8-3-4-9-19-15/h3-10,14H,2H2,1H3,(H,19,20,22)/t14-/m1/s1
InChIKeyGSTWFXVFPFMCNN-CQSZACIVSA-N
MW309.33 g/mol
LogP2.44
Rot. Bonds6

About (2R)-2-cyano-3-(3-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpropanamide

(2R)-2-cyano-3-(3-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpropanamide (PubChem CID 98506749) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is (2R)-2-cyano-3-(3-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-cyano-3-(3-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpropanamide
PubChem CID98506749
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name(2R)-2-cyano-3-(3-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpropanamide
SMILESCCOc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)c1
InChIInChI=1S/C17H15N3O3/c1-2-23-13-7-5-6-12(10-13)16(21)14(11-18)17(22)20-15-8-3-4-9-19-15/h3-10,14H,2H2,1H3,(H,19,20,22)/t14-/m1/s1
InChIKeyGSTWFXVFPFMCNN-CQSZACIVSA-N
XLogP2.44
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2R)-2-cyano-3-(3-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpropanamide with MolForge

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Related Compounds

methyl N-[3-[(2R)-2-cyano-3-oxo-3-(pyridin-2-ylamino)propanoyl]phenyl]carbamate
CID 98142120
(2R)-2-cyano-4-(3-methylphenoxy)-3-oxo-N-pyridin-2-ylbutanamide
CID 98506852
(2S)-2-cyano-5-(4-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpentanamide
CID 98506736
(2S)-2-cyano-3-(3,5-dimethoxy-4-methylphenyl)-3-oxo-N-pyridin-2-ylpropanamide
CID 98506760
(2R)-3-(2,1,3-benzothiadiazol-5-yl)-2-cyano-3-oxo-N-pyridin-2-ylpropanamide
CID 129358332
2-cyano-3-(4-fluorophenyl)-3-oxo-N-pyridin-2-ylpropanamide
CID 48909055
(2S)-2-cyano-3-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-3-oxo-N-pyridin-2-ylpropanamide
CID 98462414
2-(3-acetylphenoxy)-N-pyridin-2-ylacetamide
CID 82312002
(2R)-2-cyano-3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-3-oxopropanamide
CID 98450338
(2R)-2-(3-chlorophenoxy)-N-pyridin-2-ylpropanamide
CID 40533142
2-(4-ethoxyphenyl)-N-pyridin-2-ylacetamide
CID 17458735
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-3-(3-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpropanamide?
The IUPAC name of (2R)-2-cyano-3-(3-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpropanamide (CID 98506749) is (2R)-2-cyano-3-(3-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpropanamide.
What is the SMILES notation for (2R)-2-cyano-3-(3-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpropanamide?
The canonical SMILES for (2R)-2-cyano-3-(3-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpropanamide is CCOc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)c1.
What is the InChIKey of (2R)-2-cyano-3-(3-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpropanamide?
The InChIKey is GSTWFXVFPFMCNN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-2-23-13-7-5-6-12(10-13)16(21)14(11-18)17(22)20-15-8-3-4-9-19-15/h3-10,14H,2H2,1H3,(H,19,20,22)/t14-/m1/s1.
What are the key properties of (2R)-2-cyano-3-(3-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpropanamide?
(2R)-2-cyano-3-(3-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpropanamide has a molecular weight of 309.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-3-(3-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 98506749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).