2-cyano-3-(5-methoxy-1-methylindazol-3-yl)-3-oxo-N-phenylpropanamide

C19H16N4O3 — CID 54350555

IUPAC2-cyano-3-(5-methoxy-1-methylindazol-3-yl)-3-oxo-N-phenylpropanamide
SMILESCOc1ccc2c(c1)c(C(=O)C(C#N)C(=O)Nc1ccccc1)nn2C
InChIInChI=1S/C19H16N4O3/c1-23-16-9-8-13(26-2)10-14(16)17(22-23)18(24)15(11-20)19(25)21-12-6-4-3-5-7-12/h3-10,15H,1-2H3,(H,21,25)
InChIKeyUFKQBLUAWMFAJR-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.54
Rot. Bonds5

About 2-cyano-3-(5-methoxy-1-methylindazol-3-yl)-3-oxo-N-phenylpropanamide

2-cyano-3-(5-methoxy-1-methylindazol-3-yl)-3-oxo-N-phenylpropanamide (PubChem CID 54350555) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-cyano-3-(5-methoxy-1-methylindazol-3-yl)-3-oxo-N-phenylpropanamide.

Molecular Properties

Compound Name2-cyano-3-(5-methoxy-1-methylindazol-3-yl)-3-oxo-N-phenylpropanamide
PubChem CID54350555
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name2-cyano-3-(5-methoxy-1-methylindazol-3-yl)-3-oxo-N-phenylpropanamide
SMILESCOc1ccc2c(c1)c(C(=O)C(C#N)C(=O)Nc1ccccc1)nn2C
InChIInChI=1S/C19H16N4O3/c1-23-16-9-8-13(26-2)10-14(16)17(22-23)18(24)15(11-20)19(25)21-12-6-4-3-5-7-12/h3-10,15H,1-2H3,(H,21,25)
InChIKeyUFKQBLUAWMFAJR-UHFFFAOYSA-N
XLogP2.54
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-cyano-3-(3,5-dimethoxyphenyl)-3-oxo-N-phenylpropanamide
CID 98450161
3-(1,2-benzoxazol-3-yl)-2-cyano-3-oxo-N-phenylpropanamide
CID 54099105
(2S)-2-cyano-N-(3-methoxyphenyl)-3-(4-methylphenyl)-3-oxopropanamide
CID 98449975
2-cyano-N-(3-methoxyphenyl)-3-(4-methylphenyl)-3-oxopropanamide
CID 51086382
(2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-3-(3,4,5-trifluorophenyl)propanamide
CID 98142107
2-cyano-3-(2,4-dimethylphenyl)-N-(3-methoxyphenyl)-3-oxopropanamide
CID 87011877
2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 15168845
2-cyano-3-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-3-oxopropanamide
CID 87012140
ethyl 3-anilino-2-cyano-3-oxopropanoate
CID 15707517
(2R)-2-cyano-3-(3,4-dichlorophenyl)-3-oxo-N-phenylpropanamide
CID 98450152
2-cyano-N-(3-methoxyphenyl)-3-(3-methyl-2-nitrophenyl)-3-oxopropanamide
CID 51119454
2-cyano-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-methoxyphenyl)-3-oxopropanamide
CID 87011914

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(5-methoxy-1-methylindazol-3-yl)-3-oxo-N-phenylpropanamide?
The IUPAC name of 2-cyano-3-(5-methoxy-1-methylindazol-3-yl)-3-oxo-N-phenylpropanamide (CID 54350555) is 2-cyano-3-(5-methoxy-1-methylindazol-3-yl)-3-oxo-N-phenylpropanamide.
What is the SMILES notation for 2-cyano-3-(5-methoxy-1-methylindazol-3-yl)-3-oxo-N-phenylpropanamide?
The canonical SMILES for 2-cyano-3-(5-methoxy-1-methylindazol-3-yl)-3-oxo-N-phenylpropanamide is COc1ccc2c(c1)c(C(=O)C(C#N)C(=O)Nc1ccccc1)nn2C.
What is the InChIKey of 2-cyano-3-(5-methoxy-1-methylindazol-3-yl)-3-oxo-N-phenylpropanamide?
The InChIKey is UFKQBLUAWMFAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-23-16-9-8-13(26-2)10-14(16)17(22-23)18(24)15(11-20)19(25)21-12-6-4-3-5-7-12/h3-10,15H,1-2H3,(H,21,25).
What are the key properties of 2-cyano-3-(5-methoxy-1-methylindazol-3-yl)-3-oxo-N-phenylpropanamide?
2-cyano-3-(5-methoxy-1-methylindazol-3-yl)-3-oxo-N-phenylpropanamide has a molecular weight of 348.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(5-methoxy-1-methylindazol-3-yl)-3-oxo-N-phenylpropanamide is sourced from PubChem (CID 54350555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).