(7Z,8S)-3-ethyl-7-ethylidene-2,8-dimethyl-6,8-dihydro-5aH-pyrido[2,3-b][1,8]naphthyridine

C17H21N3 — CID 59248308

IUPAC(7Z,8S)-3-ethyl-7-ethylidene-2,8-dimethyl-6,8-dihydro-5aH-pyrido[2,3-b][1,8]naphthyridine
SMILESC/C=C1/CC2C=c3cc(CC)c(C)nc3=NC2=N[C@H]1C
InChIInChI=1S/C17H21N3/c1-5-12-7-14-9-15-8-13(6-2)11(4)19-17(15)20-16(14)18-10(12)3/h5,8-10,14H,6-7H2,1-4H3/b12-5-/t10-,14?/m0/s1
InChIKeyYAVHIQHXYWAPBE-MVDYDOMUSA-N
MW267.38 g/mol
LogP2.12
Rot. Bonds1

About (7Z,8S)-3-ethyl-7-ethylidene-2,8-dimethyl-6,8-dihydro-5aH-pyrido[2,3-b][1,8]naphthyridine

(7Z,8S)-3-ethyl-7-ethylidene-2,8-dimethyl-6,8-dihydro-5aH-pyrido[2,3-b][1,8]naphthyridine (PubChem CID 59248308) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is (7Z,8S)-3-ethyl-7-ethylidene-2,8-dimethyl-6,8-dihydro-5aH-pyrido[2,3-b][1,8]naphthyridine.

Molecular Properties

Compound Name(7Z,8S)-3-ethyl-7-ethylidene-2,8-dimethyl-6,8-dihydro-5aH-pyrido[2,3-b][1,8]naphthyridine
PubChem CID59248308
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name(7Z,8S)-3-ethyl-7-ethylidene-2,8-dimethyl-6,8-dihydro-5aH-pyrido[2,3-b][1,8]naphthyridine
SMILESC/C=C1/CC2C=c3cc(CC)c(C)nc3=NC2=N[C@H]1C
InChIInChI=1S/C17H21N3/c1-5-12-7-14-9-15-8-13(6-2)11(4)19-17(15)20-16(14)18-10(12)3/h5,8-10,14H,6-7H2,1-4H3/b12-5-/t10-,14?/m0/s1
InChIKeyYAVHIQHXYWAPBE-MVDYDOMUSA-N
XLogP2.12
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7Z,8S)-3-ethyl-7-ethylidene-2,8-dimethyl-6,8-dihydro-5aH-pyrido[2,3-b][1,8]naphthyridine?
The IUPAC name of (7Z,8S)-3-ethyl-7-ethylidene-2,8-dimethyl-6,8-dihydro-5aH-pyrido[2,3-b][1,8]naphthyridine (CID 59248308) is (7Z,8S)-3-ethyl-7-ethylidene-2,8-dimethyl-6,8-dihydro-5aH-pyrido[2,3-b][1,8]naphthyridine.
What is the SMILES notation for (7Z,8S)-3-ethyl-7-ethylidene-2,8-dimethyl-6,8-dihydro-5aH-pyrido[2,3-b][1,8]naphthyridine?
The canonical SMILES for (7Z,8S)-3-ethyl-7-ethylidene-2,8-dimethyl-6,8-dihydro-5aH-pyrido[2,3-b][1,8]naphthyridine is C/C=C1/CC2C=c3cc(CC)c(C)nc3=NC2=N[C@H]1C.
What is the InChIKey of (7Z,8S)-3-ethyl-7-ethylidene-2,8-dimethyl-6,8-dihydro-5aH-pyrido[2,3-b][1,8]naphthyridine?
The InChIKey is YAVHIQHXYWAPBE-MVDYDOMUSA-N. The full InChI is InChI=1S/C17H21N3/c1-5-12-7-14-9-15-8-13(6-2)11(4)19-17(15)20-16(14)18-10(12)3/h5,8-10,14H,6-7H2,1-4H3/b12-5-/t10-,14?/m0/s1.
What are the key properties of (7Z,8S)-3-ethyl-7-ethylidene-2,8-dimethyl-6,8-dihydro-5aH-pyrido[2,3-b][1,8]naphthyridine?
(7Z,8S)-3-ethyl-7-ethylidene-2,8-dimethyl-6,8-dihydro-5aH-pyrido[2,3-b][1,8]naphthyridine has a molecular weight of 267.38 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,8S)-3-ethyl-7-ethylidene-2,8-dimethyl-6,8-dihydro-5aH-pyrido[2,3-b][1,8]naphthyridine is sourced from PubChem (CID 59248308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).