3-(dimethylamino)-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]propanamide

C21H26N8O — CID 57393215

IUPAC3-(dimethylamino)-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]propanamide
SMILESCNc1nc2[nH]c(-c3cccc(CNC(=O)CCN(C)C)n3)cc2c2c1ncn2C
InChIInChI=1S/C21H26N8O/c1-22-21-18-19(29(4)12-24-18)14-10-16(26-20(14)27-21)15-7-5-6-13(25-15)11-23-17(30)8-9-28(2)3/h5-7,10,12H,8-9,11H2,1-4H3,(H,23,30)(H2,22,26,27)
InChIKeyGZACVTKSAODPSX-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.12
Rot. Bonds7

About 3-(dimethylamino)-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]propanamide

3-(dimethylamino)-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]propanamide (PubChem CID 57393215) has the molecular formula C21H26N8O and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]propanamide
PubChem CID57393215
Molecular FormulaC21H26N8O
Molecular Weight406.49 g/mol
Exact Mass406.22
IUPAC Name3-(dimethylamino)-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]propanamide
SMILESCNc1nc2[nH]c(-c3cccc(CNC(=O)CCN(C)C)n3)cc2c2c1ncn2C
InChIInChI=1S/C21H26N8O/c1-22-21-18-19(29(4)12-24-18)14-10-16(26-20(14)27-21)15-7-5-6-13(25-15)11-23-17(30)8-9-28(2)3/h5-7,10,12H,8-9,11H2,1-4H3,(H,23,30)(H2,22,26,27)
InChIKeyGZACVTKSAODPSX-UHFFFAOYSA-N
XLogP2.12
TPSA103.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-(dimethylamino)-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]propanamide (CID 57393215) is 3-(dimethylamino)-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]propanamide is CNc1nc2[nH]c(-c3cccc(CNC(=O)CCN(C)C)n3)cc2c2c1ncn2C.
What is the InChIKey of 3-(dimethylamino)-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]propanamide?
The InChIKey is GZACVTKSAODPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O/c1-22-21-18-19(29(4)12-24-18)14-10-16(26-20(14)27-21)15-7-5-6-13(25-15)11-23-17(30)8-9-28(2)3/h5-7,10,12H,8-9,11H2,1-4H3,(H,23,30)(H2,22,26,27).
What are the key properties of 3-(dimethylamino)-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]propanamide?
3-(dimethylamino)-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]propanamide has a molecular weight of 406.49 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]propanamide is sourced from PubChem (CID 57393215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).