8-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide

C21H23N7O — CID 122523613

IUPAC8-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide
SMILESCN(C)CCNC(=O)c1c(NC2CC2)c2cncnc2n2c1nc1ccccc12
InChIInChI=1S/C21H23N7O/c1-27(2)10-9-23-21(29)17-18(25-13-7-8-13)14-11-22-12-24-19(14)28-16-6-4-3-5-15(16)26-20(17)28/h3-6,11-13,25H,7-10H2,1-2H3,(H,23,29)
InChIKeyXMTMHORCKACJJX-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.30
Rot. Bonds6

About 8-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide

8-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide (PubChem CID 122523613) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 8-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide.

Molecular Properties

Compound Name8-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide
PubChem CID122523613
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name8-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide
SMILESCN(C)CCNC(=O)c1c(NC2CC2)c2cncnc2n2c1nc1ccccc12
InChIInChI=1S/C21H23N7O/c1-27(2)10-9-23-21(29)17-18(25-13-7-8-13)14-11-22-12-24-19(14)28-16-6-4-3-5-15(16)26-20(17)28/h3-6,11-13,25H,7-10H2,1-2H3,(H,23,29)
InChIKeyXMTMHORCKACJJX-UHFFFAOYSA-N
XLogP2.30
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide?
The IUPAC name of 8-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide (CID 122523613) is 8-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide.
What is the SMILES notation for 8-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide?
The canonical SMILES for 8-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide is CN(C)CCNC(=O)c1c(NC2CC2)c2cncnc2n2c1nc1ccccc12.
What is the InChIKey of 8-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide?
The InChIKey is XMTMHORCKACJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-27(2)10-9-23-21(29)17-18(25-13-7-8-13)14-11-22-12-24-19(14)28-16-6-4-3-5-15(16)26-20(17)28/h3-6,11-13,25H,7-10H2,1-2H3,(H,23,29).
What are the key properties of 8-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide?
8-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide is sourced from PubChem (CID 122523613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).