(2S)-2-cyano-5-(4-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpentanamide

C19H19N3O3 — CID 98506736

IUPAC(2S)-2-cyano-5-(4-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpentanamide
SMILESCCOc1ccc(CCC(=O)[C@H](C#N)C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C19H19N3O3/c1-2-25-15-9-6-14(7-10-15)8-11-17(23)16(13-20)19(24)22-18-5-3-4-12-21-18/h3-7,9-10,12,16H,2,8,11H2,1H3,(H,21,22,24)/t16-/m0/s1
InChIKeyNUJFPMBQCBYWID-INIZCTEOSA-N
MW337.38 g/mol
LogP2.76
Rot. Bonds8

About (2S)-2-cyano-5-(4-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpentanamide

(2S)-2-cyano-5-(4-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpentanamide (PubChem CID 98506736) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2S)-2-cyano-5-(4-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpentanamide.

Molecular Properties

Compound Name(2S)-2-cyano-5-(4-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpentanamide
PubChem CID98506736
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(2S)-2-cyano-5-(4-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpentanamide
SMILESCCOc1ccc(CCC(=O)[C@H](C#N)C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C19H19N3O3/c1-2-25-15-9-6-14(7-10-15)8-11-17(23)16(13-20)19(24)22-18-5-3-4-12-21-18/h3-7,9-10,12,16H,2,8,11H2,1H3,(H,21,22,24)/t16-/m0/s1
InChIKeyNUJFPMBQCBYWID-INIZCTEOSA-N
XLogP2.76
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-cyano-3-(3-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpropanamide
CID 98506749
2-(4-ethoxyphenyl)-N-pyridin-2-ylacetamide
CID 17458735
(2R)-2-cyano-4-(3-methylphenoxy)-3-oxo-N-pyridin-2-ylbutanamide
CID 98506852
2-cyano-5-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-3-oxo-N-pyridin-2-ylpentanamide
CID 48908703
(2S)-2-cyano-4-(2-ethylbenzimidazol-1-yl)-3-oxo-N-pyridin-2-ylbutanamide
CID 98470480
(2S)-4-[benzenesulfonyl(methyl)amino]-2-cyano-3-oxo-N-pyridin-2-ylbutanamide
CID 98462417
2-cyano-3-(4-fluorophenyl)-3-oxo-N-pyridin-2-ylpropanamide
CID 48909055
N-[(1S)-1-cyanobutyl]-3-(4-ethoxyphenyl)propanamide
CID 95284141
(2S)-2-cyano-3-(3,5-dimethoxy-4-methylphenyl)-3-oxo-N-pyridin-2-ylpropanamide
CID 98506760
5-(4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopentanenitrile
CID 47569743
3-(4-aminophenyl)-N-pyridin-2-ylpropanamide
CID 28713222
methyl N-[3-[(2R)-2-cyano-3-oxo-3-(pyridin-2-ylamino)propanoyl]phenyl]carbamate
CID 98142120

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyano-5-(4-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpentanamide?
The IUPAC name of (2S)-2-cyano-5-(4-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpentanamide (CID 98506736) is (2S)-2-cyano-5-(4-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpentanamide.
What is the SMILES notation for (2S)-2-cyano-5-(4-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpentanamide?
The canonical SMILES for (2S)-2-cyano-5-(4-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpentanamide is CCOc1ccc(CCC(=O)[C@H](C#N)C(=O)Nc2ccccn2)cc1.
What is the InChIKey of (2S)-2-cyano-5-(4-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpentanamide?
The InChIKey is NUJFPMBQCBYWID-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-25-15-9-6-14(7-10-15)8-11-17(23)16(13-20)19(24)22-18-5-3-4-12-21-18/h3-7,9-10,12,16H,2,8,11H2,1H3,(H,21,22,24)/t16-/m0/s1.
What are the key properties of (2S)-2-cyano-5-(4-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpentanamide?
(2S)-2-cyano-5-(4-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpentanamide has a molecular weight of 337.38 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyano-5-(4-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpentanamide is sourced from PubChem (CID 98506736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).