N-cyclopentyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide

C26H33N3O2 — CID 11502641

IUPACN-cyclopentyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
SMILESCCOc1ccc(C2Nc3ccc(C(=O)NC4CCCC4)cc3C3NCCCC23)cc1
InChIInChI=1S/C26H33N3O2/c1-2-31-20-12-9-17(10-13-20)24-21-8-5-15-27-25(21)22-16-18(11-14-23(22)29-24)26(30)28-19-6-3-4-7-19/h9-14,16,19,21,24-25,27,29H,2-8,15H2,1H3,(H,28,30)
InChIKeyZPPCCPHMHMCQLA-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.97
Rot. Bonds5

About N-cyclopentyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide

N-cyclopentyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide (PubChem CID 11502641) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-cyclopentyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
PubChem CID11502641
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-cyclopentyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
SMILESCCOc1ccc(C2Nc3ccc(C(=O)NC4CCCC4)cc3C3NCCCC23)cc1
InChIInChI=1S/C26H33N3O2/c1-2-31-20-12-9-17(10-13-20)24-21-8-5-15-27-25(21)22-16-18(11-14-23(22)29-24)26(30)28-19-6-3-4-7-19/h9-14,16,19,21,24-25,27,29H,2-8,15H2,1H3,(H,28,30)
InChIKeyZPPCCPHMHMCQLA-UHFFFAOYSA-N
XLogP4.97
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclopropyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
CID 11596287
(4aR,10bS)-N-cyclopropyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
CID 58919343
N-cyclopentyl-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
CID 11639409
4-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
CID 11495718
4-[(4aR,5S,10bR)-9-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridin-5-yl]benzoic acid
CID 90040686
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
CID 11590164
(1S,2R,10R,11R,12S)-10-(4-ethoxyphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxylic acid
CID 126000591
[4-(4-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-pyrrolidin-1-ylmethanone
CID 17242286
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
(3aR,9bS)-N-[2-[di(propan-2-yl)amino]ethyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
CID 58919298
5-(4-ethoxyphenyl)-9-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 43912690

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide?
The IUPAC name of N-cyclopentyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide (CID 11502641) is N-cyclopentyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide?
The canonical SMILES for N-cyclopentyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide is CCOc1ccc(C2Nc3ccc(C(=O)NC4CCCC4)cc3C3NCCCC23)cc1.
What is the InChIKey of N-cyclopentyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide?
The InChIKey is ZPPCCPHMHMCQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-2-31-20-12-9-17(10-13-20)24-21-8-5-15-27-25(21)22-16-18(11-14-23(22)29-24)26(30)28-19-6-3-4-7-19/h9-14,16,19,21,24-25,27,29H,2-8,15H2,1H3,(H,28,30).
What are the key properties of N-cyclopentyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide?
N-cyclopentyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide is sourced from PubChem (CID 11502641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).