(15S,19S)-N,15-diethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxamide

C22H27N3O — CID 162659077

IUPAC(15S,19S)-N,15-diethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxamide
SMILESCCNC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32
InChIInChI=1S/C22H27N3O/c1-3-22-11-7-12-24-13-10-16-15-8-5-6-9-17(15)25(19(16)20(22)24)18(14-22)21(26)23-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3,(H,23,26)/t20-,22+/m1/s1
InChIKeyUZOFVXGPIZNHLQ-IRLDBZIGSA-N
MW349.48 g/mol
LogP3.72
Rot. Bonds3

About (15S,19S)-N,15-diethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxamide

(15S,19S)-N,15-diethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxamide (PubChem CID 162659077) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is (15S,19S)-N,15-diethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxamide.

Molecular Properties

Compound Name(15S,19S)-N,15-diethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxamide
PubChem CID162659077
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(15S,19S)-N,15-diethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxamide
SMILESCCNC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32
InChIInChI=1S/C22H27N3O/c1-3-22-11-7-12-24-13-10-16-15-8-5-6-9-17(15)25(19(16)20(22)24)18(14-22)21(26)23-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3,(H,23,26)/t20-,22+/m1/s1
InChIKeyUZOFVXGPIZNHLQ-IRLDBZIGSA-N
XLogP3.72
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (15S,19S)-N,15-diethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-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 (15S,19S)-N,15-diethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxamide?
The IUPAC name of (15S,19S)-N,15-diethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxamide (CID 162659077) is (15S,19S)-N,15-diethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxamide.
What is the SMILES notation for (15S,19S)-N,15-diethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxamide?
The canonical SMILES for (15S,19S)-N,15-diethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxamide is CCNC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32.
What is the InChIKey of (15S,19S)-N,15-diethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxamide?
The InChIKey is UZOFVXGPIZNHLQ-IRLDBZIGSA-N. The full InChI is InChI=1S/C22H27N3O/c1-3-22-11-7-12-24-13-10-16-15-8-5-6-9-17(15)25(19(16)20(22)24)18(14-22)21(26)23-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3,(H,23,26)/t20-,22+/m1/s1.
What are the key properties of (15S,19S)-N,15-diethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxamide?
(15S,19S)-N,15-diethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (15S,19S)-N,15-diethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxamide is sourced from PubChem (CID 162659077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).