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

C24H24N6O2 — CID 118659953

IUPACN-(2-amino-2-oxoethyl)-N-methyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCc1cccc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CC(N)=O)cc43)nc2)n1
InChIInChI=1S/C24H24N6O2/c1-15-4-3-5-19(28-15)17-11-26-23(27-12-17)30-14-24(8-9-24)18-7-6-16(10-20(18)30)22(32)29(2)13-21(25)31/h3-7,10-12H,8-9,13-14H2,1-2H3,(H2,25,31)
InChIKeyJFXHBQISMWLJEP-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.59
Rot. Bonds5

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

N-(2-amino-2-oxoethyl)-N-methyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (PubChem CID 118659953) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-methyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-methyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
PubChem CID118659953
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC NameN-(2-amino-2-oxoethyl)-N-methyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCc1cccc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CC(N)=O)cc43)nc2)n1
InChIInChI=1S/C24H24N6O2/c1-15-4-3-5-19(28-15)17-11-26-23(27-12-17)30-14-24(8-9-24)18-7-6-16(10-20(18)30)22(32)29(2)13-21(25)31/h3-7,10-12H,8-9,13-14H2,1-2H3,(H2,25,31)
InChIKeyJFXHBQISMWLJEP-UHFFFAOYSA-N
XLogP2.59
TPSA105.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (CID 118659953) is N-(2-amino-2-oxoethyl)-N-methyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-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-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-methyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is Cc1cccc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CC(N)=O)cc43)nc2)n1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-methyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The InChIKey is JFXHBQISMWLJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-15-4-3-5-19(28-15)17-11-26-23(27-12-17)30-14-24(8-9-24)18-7-6-16(10-20(18)30)22(32)29(2)13-21(25)31/h3-7,10-12H,8-9,13-14H2,1-2H3,(H2,25,31).
What are the key properties of N-(2-amino-2-oxoethyl)-N-methyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
N-(2-amino-2-oxoethyl)-N-methyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 2.59, 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-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is sourced from PubChem (CID 118659953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).