N-(2-carbamoylphenyl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide

C19H17N5O3 — CID 53242223

IUPACN-(2-carbamoylphenyl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1ccc2cc3n(c2n1)CCCNC3=O
InChIInChI=1S/C19H17N5O3/c20-16(25)12-4-1-2-5-13(12)23-18(26)14-7-6-11-10-15-19(27)21-8-3-9-24(15)17(11)22-14/h1-2,4-7,10H,3,8-9H2,(H2,20,25)(H,21,27)(H,23,26)
InChIKeyGXOLWQVEFZJSDG-UHFFFAOYSA-N
MW363.38 g/mol
LogP1.52
Rot. Bonds3

About N-(2-carbamoylphenyl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide

N-(2-carbamoylphenyl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide (PubChem CID 53242223) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
PubChem CID53242223
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC NameN-(2-carbamoylphenyl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1ccc2cc3n(c2n1)CCCNC3=O
InChIInChI=1S/C19H17N5O3/c20-16(25)12-4-1-2-5-13(12)23-18(26)14-7-6-11-10-15-19(27)21-8-3-9-24(15)17(11)22-14/h1-2,4-7,10H,3,8-9H2,(H2,20,25)(H,21,27)(H,23,26)
InChIKeyGXOLWQVEFZJSDG-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide (CID 53242223) is N-(2-carbamoylphenyl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide is NC(=O)c1ccccc1NC(=O)c1ccc2cc3n(c2n1)CCCNC3=O.
What is the InChIKey of N-(2-carbamoylphenyl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The InChIKey is GXOLWQVEFZJSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c20-16(25)12-4-1-2-5-13(12)23-18(26)14-7-6-11-10-15-19(27)21-8-3-9-24(15)17(11)22-14/h1-2,4-7,10H,3,8-9H2,(H2,20,25)(H,21,27)(H,23,26).
What are the key properties of N-(2-carbamoylphenyl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
N-(2-carbamoylphenyl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide is sourced from PubChem (CID 53242223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).