N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide

C20H30N6O — CID 20919403

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
SMILESCN1CCN(CCNC(=O)c2cnn3c4c(cnc23)CCCCCC4)CC1
InChIInChI=1S/C20H30N6O/c1-24-10-12-25(13-11-24)9-8-21-20(27)17-15-23-26-18-7-5-3-2-4-6-16(18)14-22-19(17)26/h14-15H,2-13H2,1H3,(H,21,27)
InChIKeySLBMTJNMMPPDOY-UHFFFAOYSA-N
MW370.50 g/mol
LogP1.37
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide

N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide (PubChem CID 20919403) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
PubChem CID20919403
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
SMILESCN1CCN(CCNC(=O)c2cnn3c4c(cnc23)CCCCCC4)CC1
InChIInChI=1S/C20H30N6O/c1-24-10-12-25(13-11-24)9-8-21-20(27)17-15-23-26-18-7-5-3-2-4-6-16(18)14-22-19(17)26/h14-15H,2-13H2,1H3,(H,21,27)
InChIKeySLBMTJNMMPPDOY-UHFFFAOYSA-N
XLogP1.37
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide (CID 20919403) is N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide is CN1CCN(CCNC(=O)c2cnn3c4c(cnc23)CCCCCC4)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
The InChIKey is SLBMTJNMMPPDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-24-10-12-25(13-11-24)9-8-21-20(27)17-15-23-26-18-7-5-3-2-4-6-16(18)14-22-19(17)26/h14-15H,2-13H2,1H3,(H,21,27).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide is sourced from PubChem (CID 20919403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).