8-chloro-3-methyl-10-oxo-N-(pyridin-2-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide

C19H16ClN3O3 — CID 20907299

IUPAC8-chloro-3-methyl-10-oxo-N-(pyridin-2-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide
SMILESCC1Cn2cc(C(=O)NCc3ccccn3)c(=O)c3c(Cl)ccc(c32)O1
InChIInChI=1S/C19H16ClN3O3/c1-11-9-23-10-13(19(25)22-8-12-4-2-3-7-21-12)18(24)16-14(20)5-6-15(26-11)17(16)23/h2-7,10-11H,8-9H2,1H3,(H,22,25)
InChIKeyIIANCQXNLAAAQJ-UHFFFAOYSA-N
MW369.81 g/mol
LogP2.76
Rot. Bonds3

About 8-chloro-3-methyl-10-oxo-N-(pyridin-2-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide

8-chloro-3-methyl-10-oxo-N-(pyridin-2-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide (PubChem CID 20907299) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 8-chloro-3-methyl-10-oxo-N-(pyridin-2-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide.

Molecular Properties

Compound Name8-chloro-3-methyl-10-oxo-N-(pyridin-2-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide
PubChem CID20907299
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name8-chloro-3-methyl-10-oxo-N-(pyridin-2-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide
SMILESCC1Cn2cc(C(=O)NCc3ccccn3)c(=O)c3c(Cl)ccc(c32)O1
InChIInChI=1S/C19H16ClN3O3/c1-11-9-23-10-13(19(25)22-8-12-4-2-3-7-21-12)18(24)16-14(20)5-6-15(26-11)17(16)23/h2-7,10-11H,8-9H2,1H3,(H,22,25)
InChIKeyIIANCQXNLAAAQJ-UHFFFAOYSA-N
XLogP2.76
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-chloro-3-methyl-10-oxo-N-(pyridin-2-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methyl-10-oxo-N-(pyridin-2-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide?
The IUPAC name of 8-chloro-3-methyl-10-oxo-N-(pyridin-2-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide (CID 20907299) is 8-chloro-3-methyl-10-oxo-N-(pyridin-2-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide.
What is the SMILES notation for 8-chloro-3-methyl-10-oxo-N-(pyridin-2-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide?
The canonical SMILES for 8-chloro-3-methyl-10-oxo-N-(pyridin-2-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide is CC1Cn2cc(C(=O)NCc3ccccn3)c(=O)c3c(Cl)ccc(c32)O1.
What is the InChIKey of 8-chloro-3-methyl-10-oxo-N-(pyridin-2-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide?
The InChIKey is IIANCQXNLAAAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-11-9-23-10-13(19(25)22-8-12-4-2-3-7-21-12)18(24)16-14(20)5-6-15(26-11)17(16)23/h2-7,10-11H,8-9H2,1H3,(H,22,25).
What are the key properties of 8-chloro-3-methyl-10-oxo-N-(pyridin-2-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide?
8-chloro-3-methyl-10-oxo-N-(pyridin-2-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide has a molecular weight of 369.81 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-10-oxo-N-(pyridin-2-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide is sourced from PubChem (CID 20907299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).