N-(2-carbamoylphenyl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide

C19H17N5O3 — CID 130361739

IUPACN-(2-carbamoylphenyl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCC1CNC(=O)c2cc3ccc(C(=O)Nc4ccccc4C(N)=O)nc3n21
InChIInChI=1S/C19H17N5O3/c1-10-9-21-19(27)15-8-11-6-7-14(22-17(11)24(10)15)18(26)23-13-5-3-2-4-12(13)16(20)25/h2-8,10H,9H2,1H3,(H2,20,25)(H,21,27)(H,23,26)
InChIKeyCYRRDJGTXFDFLO-UHFFFAOYSA-N
MW363.38 g/mol
LogP1.69
Rot. Bonds3

About N-(2-carbamoylphenyl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide

N-(2-carbamoylphenyl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide (PubChem CID 130361739) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
PubChem CID130361739
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC NameN-(2-carbamoylphenyl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCC1CNC(=O)c2cc3ccc(C(=O)Nc4ccccc4C(N)=O)nc3n21
InChIInChI=1S/C19H17N5O3/c1-10-9-21-19(27)15-8-11-6-7-14(22-17(11)24(10)15)18(26)23-13-5-3-2-4-12(13)16(20)25/h2-8,10H,9H2,1H3,(H2,20,25)(H,21,27)(H,23,26)
InChIKeyCYRRDJGTXFDFLO-UHFFFAOYSA-N
XLogP1.69
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide (CID 130361739) is N-(2-carbamoylphenyl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide is CC1CNC(=O)c2cc3ccc(C(=O)Nc4ccccc4C(N)=O)nc3n21.
What is the InChIKey of N-(2-carbamoylphenyl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The InChIKey is CYRRDJGTXFDFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-10-9-21-19(27)15-8-11-6-7-14(22-17(11)24(10)15)18(26)23-13-5-3-2-4-12(13)16(20)25/h2-8,10H,9H2,1H3,(H2,20,25)(H,21,27)(H,23,26).
What are the key properties of N-(2-carbamoylphenyl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
N-(2-carbamoylphenyl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide is sourced from PubChem (CID 130361739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).