N-cyclopropyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide

C22H23N3O2 — CID 23730280

IUPACN-cyclopropyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
SMILESCc1nc2c3c(c(C(=O)NC4CC4)cn2c1C)CCC(c1ccccc1)O3
InChIInChI=1S/C22H23N3O2/c1-13-14(2)25-12-18(22(26)24-16-8-9-16)17-10-11-19(15-6-4-3-5-7-15)27-20(17)21(25)23-13/h3-7,12,16,19H,8-11H2,1-2H3,(H,24,26)
InChIKeySFNDFWXAFJROAQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.91
Rot. Bonds3

About N-cyclopropyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide

N-cyclopropyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide (PubChem CID 23730280) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-cyclopropyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
PubChem CID23730280
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-cyclopropyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
SMILESCc1nc2c3c(c(C(=O)NC4CC4)cn2c1C)CCC(c1ccccc1)O3
InChIInChI=1S/C22H23N3O2/c1-13-14(2)25-12-18(22(26)24-16-8-9-16)17-10-11-19(15-6-4-3-5-7-15)27-20(17)21(25)23-13/h3-7,12,16,19H,8-11H2,1-2H3,(H,24,26)
InChIKeySFNDFWXAFJROAQ-UHFFFAOYSA-N
XLogP3.91
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide?
The IUPAC name of N-cyclopropyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide (CID 23730280) is N-cyclopropyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide.
What is the SMILES notation for N-cyclopropyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide?
The canonical SMILES for N-cyclopropyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide is Cc1nc2c3c(c(C(=O)NC4CC4)cn2c1C)CCC(c1ccccc1)O3.
What is the InChIKey of N-cyclopropyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide?
The InChIKey is SFNDFWXAFJROAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-13-14(2)25-12-18(22(26)24-16-8-9-16)17-10-11-19(15-6-4-3-5-7-15)27-20(17)21(25)23-13/h3-7,12,16,19H,8-11H2,1-2H3,(H,24,26).
What are the key properties of N-cyclopropyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide?
N-cyclopropyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide is sourced from PubChem (CID 23730280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).