N-[2-(dimethylamino)ethyl]-3-(2-methylpropyl)-7-oxo-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-4-carboxamide

C18H24N6O2 — CID 150624086

IUPACN-[2-(dimethylamino)ethyl]-3-(2-methylpropyl)-7-oxo-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-4-carboxamide
SMILESCC(C)Cc1c(C(=O)NCCN(C)C)nc2c(=O)[nH]c3cccnc3n12
InChIInChI=1S/C18H24N6O2/c1-11(2)10-13-14(17(25)20-8-9-23(3)4)22-16-18(26)21-12-6-5-7-19-15(12)24(13)16/h5-7,11H,8-10H2,1-4H3,(H,20,25)(H,21,26)
InChIKeyIWNCKMZNJVWCLR-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.06
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-(2-methylpropyl)-7-oxo-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-4-carboxamide

N-[2-(dimethylamino)ethyl]-3-(2-methylpropyl)-7-oxo-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-4-carboxamide (PubChem CID 150624086) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(2-methylpropyl)-7-oxo-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(2-methylpropyl)-7-oxo-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-4-carboxamide
PubChem CID150624086
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(2-methylpropyl)-7-oxo-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-4-carboxamide
SMILESCC(C)Cc1c(C(=O)NCCN(C)C)nc2c(=O)[nH]c3cccnc3n12
InChIInChI=1S/C18H24N6O2/c1-11(2)10-13-14(17(25)20-8-9-23(3)4)22-16-18(26)21-12-6-5-7-19-15(12)24(13)16/h5-7,11H,8-10H2,1-4H3,(H,20,25)(H,21,26)
InChIKeyIWNCKMZNJVWCLR-UHFFFAOYSA-N
XLogP1.06
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)ethyl]-3-(2-methylpropyl)-7-oxo-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-4-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(2-methylpropyl)-7-oxo-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(2-methylpropyl)-7-oxo-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-4-carboxamide (CID 150624086) is N-[2-(dimethylamino)ethyl]-3-(2-methylpropyl)-7-oxo-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(2-methylpropyl)-7-oxo-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(2-methylpropyl)-7-oxo-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-4-carboxamide is CC(C)Cc1c(C(=O)NCCN(C)C)nc2c(=O)[nH]c3cccnc3n12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(2-methylpropyl)-7-oxo-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-4-carboxamide?
The InChIKey is IWNCKMZNJVWCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-11(2)10-13-14(17(25)20-8-9-23(3)4)22-16-18(26)21-12-6-5-7-19-15(12)24(13)16/h5-7,11H,8-10H2,1-4H3,(H,20,25)(H,21,26).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(2-methylpropyl)-7-oxo-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-4-carboxamide?
N-[2-(dimethylamino)ethyl]-3-(2-methylpropyl)-7-oxo-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(2-methylpropyl)-7-oxo-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-4-carboxamide is sourced from PubChem (CID 150624086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).