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

C24H29N3O — CID 11639409

IUPACN-cyclopentyl-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2c(c1)C1NCCCC1C(c1ccccc1)N2
InChIInChI=1S/C24H29N3O/c28-24(26-18-9-4-5-10-18)17-12-13-21-20(15-17)23-19(11-6-14-25-23)22(27-21)16-7-2-1-3-8-16/h1-3,7-8,12-13,15,18-19,22-23,25,27H,4-6,9-11,14H2,(H,26,28)
InChIKeyBVQMTGQAOSLIGD-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.57
Rot. Bonds3

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

N-cyclopentyl-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide (PubChem CID 11639409) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-cyclopentyl-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
PubChem CID11639409
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-cyclopentyl-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2c(c1)C1NCCCC1C(c1ccccc1)N2
InChIInChI=1S/C24H29N3O/c28-24(26-18-9-4-5-10-18)17-12-13-21-20(15-17)23-19(11-6-14-25-23)22(27-21)16-7-2-1-3-8-16/h1-3,7-8,12-13,15,18-19,22-23,25,27H,4-6,9-11,14H2,(H,26,28)
InChIKeyBVQMTGQAOSLIGD-UHFFFAOYSA-N
XLogP4.57
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
CID 11502641
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
(1S,2R,10S,11R,12S)-N-cyclopentyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 124785320
(1S,2R,10R,11R,12S)-N-cyclopentyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 124785322
(1S,2R,10R,11S,12S)-N-cycloheptyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 126180716
(1S,2R,10R,11R,12S)-N-cyclohexyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 126150665
(3aR,9bS)-N-(oxolan-2-ylmethyl)-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
CID 58919275
N,N-dimethyl-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
CID 11659781
N-[2-(diethylamino)ethyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
CID 11675548
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
(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 N-cyclopentyl-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide?
The IUPAC name of N-cyclopentyl-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide (CID 11639409) is N-cyclopentyl-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide?
The canonical SMILES for N-cyclopentyl-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide is O=C(NC1CCCC1)c1ccc2c(c1)C1NCCCC1C(c1ccccc1)N2.
What is the InChIKey of N-cyclopentyl-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide?
The InChIKey is BVQMTGQAOSLIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c28-24(26-18-9-4-5-10-18)17-12-13-21-20(15-17)23-19(11-6-14-25-23)22(27-21)16-7-2-1-3-8-16/h1-3,7-8,12-13,15,18-19,22-23,25,27H,4-6,9-11,14H2,(H,26,28).
What are the key properties of N-cyclopentyl-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide?
N-cyclopentyl-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 4.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide is sourced from PubChem (CID 11639409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).