(E)-N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-3-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide

C17H18N4O2 — CID 70394094

IUPAC(E)-N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-3-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCc1cc(/C=C/C(=O)Nc2ccc3c(c2)NC(=O)C3(C)C)n[nH]1
InChIInChI=1S/C17H18N4O2/c1-10-8-12(21-20-10)5-7-15(22)18-11-4-6-13-14(9-11)19-16(23)17(13,2)3/h4-9H,1-3H3,(H,18,22)(H,19,23)(H,20,21)/b7-5+
InChIKeyNOVOZVFHRQWKEX-FNORWQNLSA-N
MW310.36 g/mol
LogP2.60
Rot. Bonds3

About (E)-N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-3-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide

(E)-N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-3-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide (PubChem CID 70394094) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (E)-N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-3-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-3-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
PubChem CID70394094
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(E)-N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-3-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCc1cc(/C=C/C(=O)Nc2ccc3c(c2)NC(=O)C3(C)C)n[nH]1
InChIInChI=1S/C17H18N4O2/c1-10-8-12(21-20-10)5-7-15(22)18-11-4-6-13-14(9-11)19-16(23)17(13,2)3/h4-9H,1-3H3,(H,18,22)(H,19,23)(H,20,21)/b7-5+
InChIKeyNOVOZVFHRQWKEX-FNORWQNLSA-N
XLogP2.60
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-pyridin-4-ylprop-2-enamide
CID 67823812
phenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate
CID 54087633
1-(4-cyanophenyl)-3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea
CID 14476472
N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)thiadiazole-4-carboxamide
CID 14476428
3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 78952320
(E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 63819721
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide
CID 110405697
(E)-3-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 55028215
3-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 78952338
3,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-indole-6-carboxamide
CID 19832303
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)pyrazine-2-carboxamide
CID 110667759
N-(5-methyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 77020045

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-3-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-3-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide (CID 70394094) is (E)-N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-3-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-3-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-3-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide is Cc1cc(/C=C/C(=O)Nc2ccc3c(c2)NC(=O)C3(C)C)n[nH]1.
What is the InChIKey of (E)-N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-3-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
The InChIKey is NOVOZVFHRQWKEX-FNORWQNLSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10-8-12(21-20-10)5-7-15(22)18-11-4-6-13-14(9-11)19-16(23)17(13,2)3/h4-9H,1-3H3,(H,18,22)(H,19,23)(H,20,21)/b7-5+.
What are the key properties of (E)-N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-3-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
(E)-N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-3-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide has a molecular weight of 310.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-3-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 70394094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).