9-oxo-N-propan-2-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide

C15H17N3O2 — CID 11129411

IUPAC9-oxo-N-propan-2-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide
SMILESCC(C)NC(=O)c1[nH]c2cccc3c2c1CCNC3=O
InChIInChI=1S/C15H17N3O2/c1-8(2)17-15(20)13-9-6-7-16-14(19)10-4-3-5-11(18-13)12(9)10/h3-5,8,18H,6-7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyGTARMXPKNIBDGR-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.59
Rot. Bonds2

About 9-oxo-N-propan-2-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide

9-oxo-N-propan-2-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide (PubChem CID 11129411) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 9-oxo-N-propan-2-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide.

Molecular Properties

Compound Name9-oxo-N-propan-2-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide
PubChem CID11129411
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name9-oxo-N-propan-2-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide
SMILESCC(C)NC(=O)c1[nH]c2cccc3c2c1CCNC3=O
InChIInChI=1S/C15H17N3O2/c1-8(2)17-15(20)13-9-6-7-16-14(19)10-4-3-5-11(18-13)12(9)10/h3-5,8,18H,6-7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyGTARMXPKNIBDGR-UHFFFAOYSA-N
XLogP1.59
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-propan-2-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide?
The IUPAC name of 9-oxo-N-propan-2-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide (CID 11129411) is 9-oxo-N-propan-2-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide.
What is the SMILES notation for 9-oxo-N-propan-2-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide?
The canonical SMILES for 9-oxo-N-propan-2-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide is CC(C)NC(=O)c1[nH]c2cccc3c2c1CCNC3=O.
What is the InChIKey of 9-oxo-N-propan-2-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide?
The InChIKey is GTARMXPKNIBDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-8(2)17-15(20)13-9-6-7-16-14(19)10-4-3-5-11(18-13)12(9)10/h3-5,8,18H,6-7H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 9-oxo-N-propan-2-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide?
9-oxo-N-propan-2-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-propan-2-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide is sourced from PubChem (CID 11129411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).