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

C24H29N3O2 — CID 58919343

IUPAC(4aR,10bS)-N-cyclopropyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
SMILESCCOc1ccc(C2Nc3ccc(C(=O)NC4CC4)cc3[C@H]3NCCC[C@@H]23)cc1
InChIInChI=1S/C24H29N3O2/c1-2-29-18-10-5-15(6-11-18)22-19-4-3-13-25-23(19)20-14-16(7-12-21(20)27-22)24(28)26-17-8-9-17/h5-7,10-12,14,17,19,22-23,25,27H,2-4,8-9,13H2,1H3,(H,26,28)/t19-,22?,23-/m0/s1
InChIKeyFFYOSTYVUCMHQJ-LRSMGMEUSA-N
MW391.52 g/mol
LogP4.18
Rot. Bonds5

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

(4aR,10bS)-N-cyclopropyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide (PubChem CID 58919343) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is (4aR,10bS)-N-cyclopropyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide.

Molecular Properties

Compound Name(4aR,10bS)-N-cyclopropyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
PubChem CID58919343
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name(4aR,10bS)-N-cyclopropyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
SMILESCCOc1ccc(C2Nc3ccc(C(=O)NC4CC4)cc3[C@H]3NCCC[C@@H]23)cc1
InChIInChI=1S/C24H29N3O2/c1-2-29-18-10-5-15(6-11-18)22-19-4-3-13-25-23(19)20-14-16(7-12-21(20)27-22)24(28)26-17-8-9-17/h5-7,10-12,14,17,19,22-23,25,27H,2-4,8-9,13H2,1H3,(H,26,28)/t19-,22?,23-/m0/s1
InChIKeyFFYOSTYVUCMHQJ-LRSMGMEUSA-N
XLogP4.18
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-cyclopropyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
CID 11596287
N-cyclopentyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
CID 11502641
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
N-[2-(diethylamino)ethyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
CID 11675548
N-cyclopropyl-4-[[(2S)-pyrrolidin-2-yl]methoxy]benzamide
CID 95169854
[4-(4-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-pyrrolidin-1-ylmethanone
CID 17242286
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

Frequently Asked Questions

What is the IUPAC name of (4aR,10bS)-N-cyclopropyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide?
The IUPAC name of (4aR,10bS)-N-cyclopropyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide (CID 58919343) is (4aR,10bS)-N-cyclopropyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide.
What is the SMILES notation for (4aR,10bS)-N-cyclopropyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide?
The canonical SMILES for (4aR,10bS)-N-cyclopropyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide is CCOc1ccc(C2Nc3ccc(C(=O)NC4CC4)cc3[C@H]3NCCC[C@@H]23)cc1.
What is the InChIKey of (4aR,10bS)-N-cyclopropyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide?
The InChIKey is FFYOSTYVUCMHQJ-LRSMGMEUSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-2-29-18-10-5-15(6-11-18)22-19-4-3-13-25-23(19)20-14-16(7-12-21(20)27-22)24(28)26-17-8-9-17/h5-7,10-12,14,17,19,22-23,25,27H,2-4,8-9,13H2,1H3,(H,26,28)/t19-,22?,23-/m0/s1.
What are the key properties of (4aR,10bS)-N-cyclopropyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide?
(4aR,10bS)-N-cyclopropyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bS)-N-cyclopropyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide is sourced from PubChem (CID 58919343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).