6,6,7-trimethyl-1-morpholin-4-yl-3-prop-2-enylsulfanyl-5,8-dihydro-2,7-naphthyridine-4-carbonitrile

C19H26N4OS — CID 2893707

IUPAC6,6,7-trimethyl-1-morpholin-4-yl-3-prop-2-enylsulfanyl-5,8-dihydro-2,7-naphthyridine-4-carbonitrile
SMILESC=CCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)N(C)C2
InChIInChI=1S/C19H26N4OS/c1-5-10-25-18-15(12-20)14-11-19(2,3)22(4)13-16(14)17(21-18)23-6-8-24-9-7-23/h5H,1,6-11,13H2,2-4H3
InChIKeyCVDCBDYZMCCLKO-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.83
Rot. Bonds4

About 6,6,7-trimethyl-1-morpholin-4-yl-3-prop-2-enylsulfanyl-5,8-dihydro-2,7-naphthyridine-4-carbonitrile

6,6,7-trimethyl-1-morpholin-4-yl-3-prop-2-enylsulfanyl-5,8-dihydro-2,7-naphthyridine-4-carbonitrile (PubChem CID 2893707) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 6,6,7-trimethyl-1-morpholin-4-yl-3-prop-2-enylsulfanyl-5,8-dihydro-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name6,6,7-trimethyl-1-morpholin-4-yl-3-prop-2-enylsulfanyl-5,8-dihydro-2,7-naphthyridine-4-carbonitrile
PubChem CID2893707
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name6,6,7-trimethyl-1-morpholin-4-yl-3-prop-2-enylsulfanyl-5,8-dihydro-2,7-naphthyridine-4-carbonitrile
SMILESC=CCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)N(C)C2
InChIInChI=1S/C19H26N4OS/c1-5-10-25-18-15(12-20)14-11-19(2,3)22(4)13-16(14)17(21-18)23-6-8-24-9-7-23/h5H,1,6-11,13H2,2-4H3
InChIKeyCVDCBDYZMCCLKO-UHFFFAOYSA-N
XLogP2.83
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 6,6,7-trimethyl-1-morpholin-4-yl-3-prop-2-enylsulfanyl-5,8-dihydro-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 6,6,7-trimethyl-1-morpholin-4-yl-3-prop-2-enylsulfanyl-5,8-dihydro-2,7-naphthyridine-4-carbonitrile (CID 2893707) is 6,6,7-trimethyl-1-morpholin-4-yl-3-prop-2-enylsulfanyl-5,8-dihydro-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 6,6,7-trimethyl-1-morpholin-4-yl-3-prop-2-enylsulfanyl-5,8-dihydro-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 6,6,7-trimethyl-1-morpholin-4-yl-3-prop-2-enylsulfanyl-5,8-dihydro-2,7-naphthyridine-4-carbonitrile is C=CCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)N(C)C2.
What is the InChIKey of 6,6,7-trimethyl-1-morpholin-4-yl-3-prop-2-enylsulfanyl-5,8-dihydro-2,7-naphthyridine-4-carbonitrile?
The InChIKey is CVDCBDYZMCCLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-5-10-25-18-15(12-20)14-11-19(2,3)22(4)13-16(14)17(21-18)23-6-8-24-9-7-23/h5H,1,6-11,13H2,2-4H3.
What are the key properties of 6,6,7-trimethyl-1-morpholin-4-yl-3-prop-2-enylsulfanyl-5,8-dihydro-2,7-naphthyridine-4-carbonitrile?
6,6,7-trimethyl-1-morpholin-4-yl-3-prop-2-enylsulfanyl-5,8-dihydro-2,7-naphthyridine-4-carbonitrile has a molecular weight of 358.51 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7-trimethyl-1-morpholin-4-yl-3-prop-2-enylsulfanyl-5,8-dihydro-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 2893707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).