N-[4-(cyclodecapentaenyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]cycloundecanecarboxamide

C30H38N2O2 — CID 155453112

IUPACN-[4-(cyclodecapentaenyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]cycloundecanecarboxamide
SMILESO=C(Nc1cnc2c(c1-c1ccccccccc1)CCC2O)C1CCCCCCCCCC1
InChIInChI=1S/C30H38N2O2/c33-27-21-20-25-28(23-16-12-8-6-3-7-9-13-17-23)26(22-31-29(25)27)32-30(34)24-18-14-10-4-1-2-5-11-15-19-24/h3,6-9,12-13,16-17,22,24,27,33H,1-2,4-5,10-11,14-15,18-21H2,(H,32,34)/b6-3-,7-3-,8-6-,9-7+,12-8+,13-9+,16-12+,17-13-,23-16+,23-17+
InChIKeyFPIIOKFXWUXCDY-VHNCXTRESA-N
MW458.65 g/mol
LogP7.32
Rot. Bonds3

About N-[4-(cyclodecapentaenyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]cycloundecanecarboxamide

N-[4-(cyclodecapentaenyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]cycloundecanecarboxamide (PubChem CID 155453112) has the molecular formula C30H38N2O2 and a molecular weight of 458.65 g/mol. Its IUPAC name is N-[4-(cyclodecapentaenyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]cycloundecanecarboxamide.

Molecular Properties

Compound NameN-[4-(cyclodecapentaenyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]cycloundecanecarboxamide
PubChem CID155453112
Molecular FormulaC30H38N2O2
Molecular Weight458.65 g/mol
Exact Mass458.29
IUPAC NameN-[4-(cyclodecapentaenyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]cycloundecanecarboxamide
SMILESO=C(Nc1cnc2c(c1-c1ccccccccc1)CCC2O)C1CCCCCCCCCC1
InChIInChI=1S/C30H38N2O2/c33-27-21-20-25-28(23-16-12-8-6-3-7-9-13-17-23)26(22-31-29(25)27)32-30(34)24-18-14-10-4-1-2-5-11-15-19-24/h3,6-9,12-13,16-17,22,24,27,33H,1-2,4-5,10-11,14-15,18-21H2,(H,32,34)/b6-3-,7-3-,8-6-,9-7+,12-8+,13-9+,16-12+,17-13-,23-16+,23-17+
InChIKeyFPIIOKFXWUXCDY-VHNCXTRESA-N
XLogP7.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(cyclodecapentaenyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]cycloundecanecarboxamide 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 N-[4-(cyclodecapentaenyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]cycloundecanecarboxamide?
The IUPAC name of N-[4-(cyclodecapentaenyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]cycloundecanecarboxamide (CID 155453112) is N-[4-(cyclodecapentaenyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]cycloundecanecarboxamide.
What is the SMILES notation for N-[4-(cyclodecapentaenyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]cycloundecanecarboxamide?
The canonical SMILES for N-[4-(cyclodecapentaenyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]cycloundecanecarboxamide is O=C(Nc1cnc2c(c1-c1ccccccccc1)CCC2O)C1CCCCCCCCCC1.
What is the InChIKey of N-[4-(cyclodecapentaenyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]cycloundecanecarboxamide?
The InChIKey is FPIIOKFXWUXCDY-VHNCXTRESA-N. The full InChI is InChI=1S/C30H38N2O2/c33-27-21-20-25-28(23-16-12-8-6-3-7-9-13-17-23)26(22-31-29(25)27)32-30(34)24-18-14-10-4-1-2-5-11-15-19-24/h3,6-9,12-13,16-17,22,24,27,33H,1-2,4-5,10-11,14-15,18-21H2,(H,32,34)/b6-3-,7-3-,8-6-,9-7+,12-8+,13-9+,16-12+,17-13-,23-16+,23-17+.
What are the key properties of N-[4-(cyclodecapentaenyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]cycloundecanecarboxamide?
N-[4-(cyclodecapentaenyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]cycloundecanecarboxamide has a molecular weight of 458.65 g/mol, XLogP of 7.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclodecapentaenyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]cycloundecanecarboxamide is sourced from PubChem (CID 155453112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).