N-methyl-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]cyclopropanecarboxamide

C22H24N6O — CID 67527040

IUPACN-methyl-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]cyclopropanecarboxamide
SMILESCNc1nc2[nH]c(-c3cccc(CN(C)C(=O)C4CC4)c3)cc2c2c1ncn2C
InChIInChI=1S/C22H24N6O/c1-23-21-18-19(28(3)12-24-18)16-10-17(25-20(16)26-21)15-6-4-5-13(9-15)11-27(2)22(29)14-7-8-14/h4-6,9-10,12,14H,7-8,11H2,1-3H3,(H2,23,25,26)
InChIKeyIIPKNNANTQJQFY-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.53
Rot. Bonds5

About N-methyl-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]cyclopropanecarboxamide

N-methyl-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]cyclopropanecarboxamide (PubChem CID 67527040) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-methyl-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]cyclopropanecarboxamide
PubChem CID67527040
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-methyl-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]cyclopropanecarboxamide
SMILESCNc1nc2[nH]c(-c3cccc(CN(C)C(=O)C4CC4)c3)cc2c2c1ncn2C
InChIInChI=1S/C22H24N6O/c1-23-21-18-19(28(3)12-24-18)16-10-17(25-20(16)26-21)15-6-4-5-13(9-15)11-27(2)22(29)14-7-8-14/h4-6,9-10,12,14H,7-8,11H2,1-3H3,(H2,23,25,26)
InChIKeyIIPKNNANTQJQFY-UHFFFAOYSA-N
XLogP3.53
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]cyclopropanecarboxamide 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-methyl-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]cyclopropanecarboxamide (CID 67527040) is N-methyl-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]cyclopropanecarboxamide is CNc1nc2[nH]c(-c3cccc(CN(C)C(=O)C4CC4)c3)cc2c2c1ncn2C.
What is the InChIKey of N-methyl-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is IIPKNNANTQJQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-23-21-18-19(28(3)12-24-18)16-10-17(25-20(16)26-21)15-6-4-5-13(9-15)11-27(2)22(29)14-7-8-14/h4-6,9-10,12,14H,7-8,11H2,1-3H3,(H2,23,25,26).
What are the key properties of N-methyl-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]cyclopropanecarboxamide?
N-methyl-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 67527040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).