(8S)-3,7-diethyl-2,8-dimethyl-3,4,5,5a,6,7,8,10-octahydropyrido[2,3-b][1,8]naphthyridine

C17H27N3 — CID 91102247

IUPAC(8S)-3,7-diethyl-2,8-dimethyl-3,4,5,5a,6,7,8,10-octahydropyrido[2,3-b][1,8]naphthyridine
SMILESCCC1CC2=C(N=C1C)NC1=N[C@@H](C)C(CC)CC1C2
InChIInChI=1S/C17H27N3/c1-5-12-7-14-9-15-8-13(6-2)11(4)19-17(15)20-16(14)18-10(12)3/h10,12-14H,5-9H2,1-4H3,(H,18,20)/t10-,12?,13?,14?/m0/s1
InChIKeyFXCASGNAMFAFAH-ZPQSCOJMSA-N
MW273.42 g/mol
LogP3.92
Rot. Bonds2

About (8S)-3,7-diethyl-2,8-dimethyl-3,4,5,5a,6,7,8,10-octahydropyrido[2,3-b][1,8]naphthyridine

(8S)-3,7-diethyl-2,8-dimethyl-3,4,5,5a,6,7,8,10-octahydropyrido[2,3-b][1,8]naphthyridine (PubChem CID 91102247) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is (8S)-3,7-diethyl-2,8-dimethyl-3,4,5,5a,6,7,8,10-octahydropyrido[2,3-b][1,8]naphthyridine.

Molecular Properties

Compound Name(8S)-3,7-diethyl-2,8-dimethyl-3,4,5,5a,6,7,8,10-octahydropyrido[2,3-b][1,8]naphthyridine
PubChem CID91102247
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name(8S)-3,7-diethyl-2,8-dimethyl-3,4,5,5a,6,7,8,10-octahydropyrido[2,3-b][1,8]naphthyridine
SMILESCCC1CC2=C(N=C1C)NC1=N[C@@H](C)C(CC)CC1C2
InChIInChI=1S/C17H27N3/c1-5-12-7-14-9-15-8-13(6-2)11(4)19-17(15)20-16(14)18-10(12)3/h10,12-14H,5-9H2,1-4H3,(H,18,20)/t10-,12?,13?,14?/m0/s1
InChIKeyFXCASGNAMFAFAH-ZPQSCOJMSA-N
XLogP3.92
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,8,9-Tetramethyl-1,4,4a,5,6,6a,7,8,9,11-decahydro-1,8-naphthyridino[2,3-b][1,8]naphthyridine
CID 91361353
3-ethyl-N,6,7-trimethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridin-2-imine
CID 136617439

Frequently Asked Questions

What is the IUPAC name of (8S)-3,7-diethyl-2,8-dimethyl-3,4,5,5a,6,7,8,10-octahydropyrido[2,3-b][1,8]naphthyridine?
The IUPAC name of (8S)-3,7-diethyl-2,8-dimethyl-3,4,5,5a,6,7,8,10-octahydropyrido[2,3-b][1,8]naphthyridine (CID 91102247) is (8S)-3,7-diethyl-2,8-dimethyl-3,4,5,5a,6,7,8,10-octahydropyrido[2,3-b][1,8]naphthyridine.
What is the SMILES notation for (8S)-3,7-diethyl-2,8-dimethyl-3,4,5,5a,6,7,8,10-octahydropyrido[2,3-b][1,8]naphthyridine?
The canonical SMILES for (8S)-3,7-diethyl-2,8-dimethyl-3,4,5,5a,6,7,8,10-octahydropyrido[2,3-b][1,8]naphthyridine is CCC1CC2=C(N=C1C)NC1=N[C@@H](C)C(CC)CC1C2.
What is the InChIKey of (8S)-3,7-diethyl-2,8-dimethyl-3,4,5,5a,6,7,8,10-octahydropyrido[2,3-b][1,8]naphthyridine?
The InChIKey is FXCASGNAMFAFAH-ZPQSCOJMSA-N. The full InChI is InChI=1S/C17H27N3/c1-5-12-7-14-9-15-8-13(6-2)11(4)19-17(15)20-16(14)18-10(12)3/h10,12-14H,5-9H2,1-4H3,(H,18,20)/t10-,12?,13?,14?/m0/s1.
What are the key properties of (8S)-3,7-diethyl-2,8-dimethyl-3,4,5,5a,6,7,8,10-octahydropyrido[2,3-b][1,8]naphthyridine?
(8S)-3,7-diethyl-2,8-dimethyl-3,4,5,5a,6,7,8,10-octahydropyrido[2,3-b][1,8]naphthyridine has a molecular weight of 273.42 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-3,7-diethyl-2,8-dimethyl-3,4,5,5a,6,7,8,10-octahydropyrido[2,3-b][1,8]naphthyridine is sourced from PubChem (CID 91102247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).