6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide

C17H18N4O3S — CID 109351828

IUPAC6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cc(N2CCc3ccccc32)ncn1
InChIInChI=1S/C17H18N4O3S/c22-17(20-13-6-8-25(23,24)10-13)14-9-16(19-11-18-14)21-7-5-12-3-1-2-4-15(12)21/h1-4,9,11,13H,5-8,10H2,(H,20,22)
InChIKeyQTSYLHDGXAEYMN-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.09
Rot. Bonds3

About 6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide

6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide (PubChem CID 109351828) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
PubChem CID109351828
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cc(N2CCc3ccccc32)ncn1
InChIInChI=1S/C17H18N4O3S/c22-17(20-13-6-8-25(23,24)10-13)14-9-16(19-11-18-14)21-7-5-12-3-1-2-4-15(12)21/h1-4,9,11,13H,5-8,10H2,(H,20,22)
InChIKeyQTSYLHDGXAEYMN-UHFFFAOYSA-N
XLogP1.09
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide
CID 109342051
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 109122860
N-(1,1-dioxothiolan-3-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91628610
6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyrimidine-4-carboxamide
CID 109352694
N-(2,5-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109356579
6-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 46179343
6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109356545
5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109106502
N-cyclopentyl-5-(2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109273970
N-(1,1-dioxothiolan-3-yl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338681
4-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidin-2-amine
CID 112921828
6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348179

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide (CID 109351828) is 6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1cc(N2CCc3ccccc32)ncn1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide?
The InChIKey is QTSYLHDGXAEYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c22-17(20-13-6-8-25(23,24)10-13)14-9-16(19-11-18-14)21-7-5-12-3-1-2-4-15(12)21/h1-4,9,11,13H,5-8,10H2,(H,20,22).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide?
6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109351828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).