N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide

C23H22N6O2 — CID 118659765

IUPACN-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCN(CC(N)=O)C(=O)c1ccc2c(c1)N(c1ncc(-c3ccccn3)cn1)CC21CC1
InChIInChI=1S/C23H22N6O2/c1-28(13-20(24)30)21(31)15-5-6-17-19(10-15)29(14-23(17)7-8-23)22-26-11-16(12-27-22)18-4-2-3-9-25-18/h2-6,9-12H,7-8,13-14H2,1H3,(H2,24,30)
InChIKeySKNQCCXZDJBKQT-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.28
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide

N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (PubChem CID 118659765) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
PubChem CID118659765
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC NameN-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCN(CC(N)=O)C(=O)c1ccc2c(c1)N(c1ncc(-c3ccccn3)cn1)CC21CC1
InChIInChI=1S/C23H22N6O2/c1-28(13-20(24)30)21(31)15-5-6-17-19(10-15)29(14-23(17)7-8-23)22-26-11-16(12-27-22)18-4-2-3-9-25-18/h2-6,9-12H,7-8,13-14H2,1H3,(H2,24,30)
InChIKeySKNQCCXZDJBKQT-UHFFFAOYSA-N
XLogP2.28
TPSA105.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (CID 118659765) is N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is CN(CC(N)=O)C(=O)c1ccc2c(c1)N(c1ncc(-c3ccccn3)cn1)CC21CC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The InChIKey is SKNQCCXZDJBKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-28(13-20(24)30)21(31)15-5-6-17-19(10-15)29(14-23(17)7-8-23)22-26-11-16(12-27-22)18-4-2-3-9-25-18/h2-6,9-12H,7-8,13-14H2,1H3,(H2,24,30).
What are the key properties of N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is sourced from PubChem (CID 118659765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).