(8S)-3-ethyl-7-ethylidene-2,8-dimethyl-8H-pyrido[2,3-b][1,8]naphthyridine

C17H19N3 — CID 91423855

IUPAC(8S)-3-ethyl-7-ethylidene-2,8-dimethyl-8H-pyrido[2,3-b][1,8]naphthyridine
SMILESCC=C1C=c2cc3cc(CC)c(C)nc3nc2=N[C@H]1C
InChIInChI=1S/C17H19N3/c1-5-12-7-14-9-15-8-13(6-2)11(4)19-17(15)20-16(14)18-10(12)3/h5,7-10H,6H2,1-4H3/t10-/m0/s1
InChIKeyVRQFISQMWMAXKH-JTQLQIEISA-N
MW265.36 g/mol
LogP2.25
Rot. Bonds1

About (8S)-3-ethyl-7-ethylidene-2,8-dimethyl-8H-pyrido[2,3-b][1,8]naphthyridine

(8S)-3-ethyl-7-ethylidene-2,8-dimethyl-8H-pyrido[2,3-b][1,8]naphthyridine (PubChem CID 91423855) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is (8S)-3-ethyl-7-ethylidene-2,8-dimethyl-8H-pyrido[2,3-b][1,8]naphthyridine.

Molecular Properties

Compound Name(8S)-3-ethyl-7-ethylidene-2,8-dimethyl-8H-pyrido[2,3-b][1,8]naphthyridine
PubChem CID91423855
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name(8S)-3-ethyl-7-ethylidene-2,8-dimethyl-8H-pyrido[2,3-b][1,8]naphthyridine
SMILESCC=C1C=c2cc3cc(CC)c(C)nc3nc2=N[C@H]1C
InChIInChI=1S/C17H19N3/c1-5-12-7-14-9-15-8-13(6-2)11(4)19-17(15)20-16(14)18-10(12)3/h5,7-10H,6H2,1-4H3/t10-/m0/s1
InChIKeyVRQFISQMWMAXKH-JTQLQIEISA-N
XLogP2.25
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8S)-3-ethyl-7-ethylidene-2,8-dimethyl-8H-pyrido[2,3-b][1,8]naphthyridine?
The IUPAC name of (8S)-3-ethyl-7-ethylidene-2,8-dimethyl-8H-pyrido[2,3-b][1,8]naphthyridine (CID 91423855) is (8S)-3-ethyl-7-ethylidene-2,8-dimethyl-8H-pyrido[2,3-b][1,8]naphthyridine.
What is the SMILES notation for (8S)-3-ethyl-7-ethylidene-2,8-dimethyl-8H-pyrido[2,3-b][1,8]naphthyridine?
The canonical SMILES for (8S)-3-ethyl-7-ethylidene-2,8-dimethyl-8H-pyrido[2,3-b][1,8]naphthyridine is CC=C1C=c2cc3cc(CC)c(C)nc3nc2=N[C@H]1C.
What is the InChIKey of (8S)-3-ethyl-7-ethylidene-2,8-dimethyl-8H-pyrido[2,3-b][1,8]naphthyridine?
The InChIKey is VRQFISQMWMAXKH-JTQLQIEISA-N. The full InChI is InChI=1S/C17H19N3/c1-5-12-7-14-9-15-8-13(6-2)11(4)19-17(15)20-16(14)18-10(12)3/h5,7-10H,6H2,1-4H3/t10-/m0/s1.
What are the key properties of (8S)-3-ethyl-7-ethylidene-2,8-dimethyl-8H-pyrido[2,3-b][1,8]naphthyridine?
(8S)-3-ethyl-7-ethylidene-2,8-dimethyl-8H-pyrido[2,3-b][1,8]naphthyridine has a molecular weight of 265.36 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-3-ethyl-7-ethylidene-2,8-dimethyl-8H-pyrido[2,3-b][1,8]naphthyridine is sourced from PubChem (CID 91423855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).