N,N-dimethyl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-12-carboxamide

C17H20N2O — CID 12798063

IUPACN,N-dimethyl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-12-carboxamide
SMILESCN(C)C(=O)C1CC2CCC1c1[nH]c3ccccc3c12
InChIInChI=1S/C17H20N2O/c1-19(2)17(20)13-9-10-7-8-11(13)16-15(10)12-5-3-4-6-14(12)18-16/h3-6,10-11,13,18H,7-9H2,1-2H3
InChIKeyZBZXSJKKLQDTEN-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.24
Rot. Bonds1

About N,N-dimethyl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-12-carboxamide

N,N-dimethyl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-12-carboxamide (PubChem CID 12798063) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N,N-dimethyl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-12-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-12-carboxamide
PubChem CID12798063
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN,N-dimethyl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-12-carboxamide
SMILESCN(C)C(=O)C1CC2CCC1c1[nH]c3ccccc3c12
InChIInChI=1S/C17H20N2O/c1-19(2)17(20)13-9-10-7-8-11(13)16-15(10)12-5-3-4-6-14(12)18-16/h3-6,10-11,13,18H,7-9H2,1-2H3
InChIKeyZBZXSJKKLQDTEN-UHFFFAOYSA-N
XLogP3.24
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N,N-dimethyl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-12-carboxamide with MolForge

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Related Compounds

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ethyl (1S,12S,15R)-9-azatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-15-carboxylate
CID 134194719
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-12-carboxamide?
The IUPAC name of N,N-dimethyl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-12-carboxamide (CID 12798063) is N,N-dimethyl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-12-carboxamide.
What is the SMILES notation for N,N-dimethyl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-12-carboxamide?
The canonical SMILES for N,N-dimethyl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-12-carboxamide is CN(C)C(=O)C1CC2CCC1c1[nH]c3ccccc3c12.
What is the InChIKey of N,N-dimethyl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-12-carboxamide?
The InChIKey is ZBZXSJKKLQDTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19(2)17(20)13-9-10-7-8-11(13)16-15(10)12-5-3-4-6-14(12)18-16/h3-6,10-11,13,18H,7-9H2,1-2H3.
What are the key properties of N,N-dimethyl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-12-carboxamide?
N,N-dimethyl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-12-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-12-carboxamide is sourced from PubChem (CID 12798063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).