N-(2-methylpyrimidin-5-yl)-3-propan-2-yl-2,3-dihydroindole-1-carboxamide

C17H20N4O — CID 128612323

IUPACN-(2-methylpyrimidin-5-yl)-3-propan-2-yl-2,3-dihydroindole-1-carboxamide
SMILESCc1ncc(NC(=O)N2CC(C(C)C)c3ccccc32)cn1
InChIInChI=1S/C17H20N4O/c1-11(2)15-10-21(16-7-5-4-6-14(15)16)17(22)20-13-8-18-12(3)19-9-13/h4-9,11,15H,10H2,1-3H3,(H,20,22)
InChIKeyQLVLNGMDFVEYEO-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.58
Rot. Bonds2

About N-(2-methylpyrimidin-5-yl)-3-propan-2-yl-2,3-dihydroindole-1-carboxamide

N-(2-methylpyrimidin-5-yl)-3-propan-2-yl-2,3-dihydroindole-1-carboxamide (PubChem CID 128612323) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2-methylpyrimidin-5-yl)-3-propan-2-yl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpyrimidin-5-yl)-3-propan-2-yl-2,3-dihydroindole-1-carboxamide
PubChem CID128612323
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(2-methylpyrimidin-5-yl)-3-propan-2-yl-2,3-dihydroindole-1-carboxamide
SMILESCc1ncc(NC(=O)N2CC(C(C)C)c3ccccc32)cn1
InChIInChI=1S/C17H20N4O/c1-11(2)15-10-21(16-7-5-4-6-14(15)16)17(22)20-13-8-18-12(3)19-9-13/h4-9,11,15H,10H2,1-3H3,(H,20,22)
InChIKeyQLVLNGMDFVEYEO-UHFFFAOYSA-N
XLogP3.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrimidin-5-yl)-3-propan-2-yl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(2-methylpyrimidin-5-yl)-3-propan-2-yl-2,3-dihydroindole-1-carboxamide (CID 128612323) is N-(2-methylpyrimidin-5-yl)-3-propan-2-yl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(2-methylpyrimidin-5-yl)-3-propan-2-yl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(2-methylpyrimidin-5-yl)-3-propan-2-yl-2,3-dihydroindole-1-carboxamide is Cc1ncc(NC(=O)N2CC(C(C)C)c3ccccc32)cn1.
What is the InChIKey of N-(2-methylpyrimidin-5-yl)-3-propan-2-yl-2,3-dihydroindole-1-carboxamide?
The InChIKey is QLVLNGMDFVEYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11(2)15-10-21(16-7-5-4-6-14(15)16)17(22)20-13-8-18-12(3)19-9-13/h4-9,11,15H,10H2,1-3H3,(H,20,22).
What are the key properties of N-(2-methylpyrimidin-5-yl)-3-propan-2-yl-2,3-dihydroindole-1-carboxamide?
N-(2-methylpyrimidin-5-yl)-3-propan-2-yl-2,3-dihydroindole-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrimidin-5-yl)-3-propan-2-yl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 128612323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).