(18R)-5,5,9-trimethyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.02,10.03,8.014,18]pentacosa-1(25),3(8),9,21,23-pentaene-22-carboxamide

C26H34N4O2 — CID 53326941

IUPAC(18R)-5,5,9-trimethyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.02,10.03,8.014,18]pentacosa-1(25),3(8),9,21,23-pentaene-22-carboxamide
SMILESCc1c2c(n3c1CCCN1CCC[C@@H]1CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O
InChIInChI=1S/C26H34N4O2/c1-16-21-7-5-11-29-10-4-6-18(29)15-28-20-12-17(8-9-19(20)25(27)32)30(21)22-13-26(2,3)14-23(31)24(16)22/h8-9,12,18,28H,4-7,10-11,13-15H2,1-3H3,(H2,27,32)/t18-/m1/s1
InChIKeyWQTXERXALASGRT-GOSISDBHSA-N
MW434.58 g/mol
LogP3.86
Rot. Bonds1

About (18R)-5,5,9-trimethyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.02,10.03,8.014,18]pentacosa-1(25),3(8),9,21,23-pentaene-22-carboxamide

(18R)-5,5,9-trimethyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.02,10.03,8.014,18]pentacosa-1(25),3(8),9,21,23-pentaene-22-carboxamide (PubChem CID 53326941) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is (18R)-5,5,9-trimethyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.02,10.03,8.014,18]pentacosa-1(25),3(8),9,21,23-pentaene-22-carboxamide.

Molecular Properties

Compound Name(18R)-5,5,9-trimethyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.02,10.03,8.014,18]pentacosa-1(25),3(8),9,21,23-pentaene-22-carboxamide
PubChem CID53326941
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name(18R)-5,5,9-trimethyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.02,10.03,8.014,18]pentacosa-1(25),3(8),9,21,23-pentaene-22-carboxamide
SMILESCc1c2c(n3c1CCCN1CCC[C@@H]1CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O
InChIInChI=1S/C26H34N4O2/c1-16-21-7-5-11-29-10-4-6-18(29)15-28-20-12-17(8-9-19(20)25(27)32)30(21)22-13-26(2,3)14-23(31)24(16)22/h8-9,12,18,28H,4-7,10-11,13-15H2,1-3H3,(H2,27,32)/t18-/m1/s1
InChIKeyWQTXERXALASGRT-GOSISDBHSA-N
XLogP3.86
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (18R)-5,5,9-trimethyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.02,10.03,8.014,18]pentacosa-1(25),3(8),9,21,23-pentaene-22-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (18R)-5,5,9-trimethyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.02,10.03,8.014,18]pentacosa-1(25),3(8),9,21,23-pentaene-22-carboxamide?
The IUPAC name of (18R)-5,5,9-trimethyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.02,10.03,8.014,18]pentacosa-1(25),3(8),9,21,23-pentaene-22-carboxamide (CID 53326941) is (18R)-5,5,9-trimethyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.02,10.03,8.014,18]pentacosa-1(25),3(8),9,21,23-pentaene-22-carboxamide.
What is the SMILES notation for (18R)-5,5,9-trimethyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.02,10.03,8.014,18]pentacosa-1(25),3(8),9,21,23-pentaene-22-carboxamide?
The canonical SMILES for (18R)-5,5,9-trimethyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.02,10.03,8.014,18]pentacosa-1(25),3(8),9,21,23-pentaene-22-carboxamide is Cc1c2c(n3c1CCCN1CCC[C@@H]1CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O.
What is the InChIKey of (18R)-5,5,9-trimethyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.02,10.03,8.014,18]pentacosa-1(25),3(8),9,21,23-pentaene-22-carboxamide?
The InChIKey is WQTXERXALASGRT-GOSISDBHSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-16-21-7-5-11-29-10-4-6-18(29)15-28-20-12-17(8-9-19(20)25(27)32)30(21)22-13-26(2,3)14-23(31)24(16)22/h8-9,12,18,28H,4-7,10-11,13-15H2,1-3H3,(H2,27,32)/t18-/m1/s1.
What are the key properties of (18R)-5,5,9-trimethyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.02,10.03,8.014,18]pentacosa-1(25),3(8),9,21,23-pentaene-22-carboxamide?
(18R)-5,5,9-trimethyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.02,10.03,8.014,18]pentacosa-1(25),3(8),9,21,23-pentaene-22-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 3.86, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (18R)-5,5,9-trimethyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.02,10.03,8.014,18]pentacosa-1(25),3(8),9,21,23-pentaene-22-carboxamide is sourced from PubChem (CID 53326941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).