2-amino-2-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]propanamide

C21H25N7O — CID 67526928

IUPAC2-amino-2-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]propanamide
SMILESCNc1nc2[nH]c(-c3cccc(CNC(=O)C(C)(C)N)c3)cc2c2c1ncn2C
InChIInChI=1S/C21H25N7O/c1-21(2,22)20(29)24-10-12-6-5-7-13(8-12)15-9-14-17-16(25-11-28(17)4)19(23-3)27-18(14)26-15/h5-9,11H,10,22H2,1-4H3,(H,24,29)(H2,23,26,27)
InChIKeyMNGWGPLFLAHVMO-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.51
Rot. Bonds5

About 2-amino-2-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]propanamide

2-amino-2-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]propanamide (PubChem CID 67526928) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-amino-2-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]propanamide.

Molecular Properties

Compound Name2-amino-2-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]propanamide
PubChem CID67526928
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name2-amino-2-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]propanamide
SMILESCNc1nc2[nH]c(-c3cccc(CNC(=O)C(C)(C)N)c3)cc2c2c1ncn2C
InChIInChI=1S/C21H25N7O/c1-21(2,22)20(29)24-10-12-6-5-7-13(8-12)15-9-14-17-16(25-11-28(17)4)19(23-3)27-18(14)26-15/h5-9,11H,10,22H2,1-4H3,(H,24,29)(H2,23,26,27)
InChIKeyMNGWGPLFLAHVMO-UHFFFAOYSA-N
XLogP2.51
TPSA113.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-amino-2-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]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-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]propanamide?
The IUPAC name of 2-amino-2-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]propanamide (CID 67526928) is 2-amino-2-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]propanamide.
What is the SMILES notation for 2-amino-2-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]propanamide?
The canonical SMILES for 2-amino-2-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]propanamide is CNc1nc2[nH]c(-c3cccc(CNC(=O)C(C)(C)N)c3)cc2c2c1ncn2C.
What is the InChIKey of 2-amino-2-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]propanamide?
The InChIKey is MNGWGPLFLAHVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-21(2,22)20(29)24-10-12-6-5-7-13(8-12)15-9-14-17-16(25-11-28(17)4)19(23-3)27-18(14)26-15/h5-9,11H,10,22H2,1-4H3,(H,24,29)(H2,23,26,27).
What are the key properties of 2-amino-2-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]propanamide?
2-amino-2-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]propanamide has a molecular weight of 391.48 g/mol, XLogP of 2.51, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-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]propanamide is sourced from PubChem (CID 67526928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).