7-benzyl-3-(furan-2-ylmethylamino)-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C25H27N5O2 — CID 4860273

IUPAC7-benzyl-3-(furan-2-ylmethylamino)-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c(NCc2ccco2)nc(N2CCOCC2)c2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C25H27N5O2/c26-15-22-21-8-9-29(17-19-5-2-1-3-6-19)18-23(21)25(30-10-13-31-14-11-30)28-24(22)27-16-20-7-4-12-32-20/h1-7,12H,8-11,13-14,16-18H2,(H,27,28)
InChIKeyGZYZVCHUYBEFQF-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.55
Rot. Bonds6

About 7-benzyl-3-(furan-2-ylmethylamino)-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

7-benzyl-3-(furan-2-ylmethylamino)-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 4860273) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 7-benzyl-3-(furan-2-ylmethylamino)-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name7-benzyl-3-(furan-2-ylmethylamino)-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID4860273
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name7-benzyl-3-(furan-2-ylmethylamino)-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c(NCc2ccco2)nc(N2CCOCC2)c2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C25H27N5O2/c26-15-22-21-8-9-29(17-19-5-2-1-3-6-19)18-23(21)25(30-10-13-31-14-11-30)28-24(22)27-16-20-7-4-12-32-20/h1-7,12H,8-11,13-14,16-18H2,(H,27,28)
InChIKeyGZYZVCHUYBEFQF-UHFFFAOYSA-N
XLogP3.55
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-3-(furan-2-ylmethylamino)-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 7-benzyl-3-(furan-2-ylmethylamino)-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 4860273) is 7-benzyl-3-(furan-2-ylmethylamino)-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 7-benzyl-3-(furan-2-ylmethylamino)-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 7-benzyl-3-(furan-2-ylmethylamino)-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is N#Cc1c(NCc2ccco2)nc(N2CCOCC2)c2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of 7-benzyl-3-(furan-2-ylmethylamino)-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is GZYZVCHUYBEFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c26-15-22-21-8-9-29(17-19-5-2-1-3-6-19)18-23(21)25(30-10-13-31-14-11-30)28-24(22)27-16-20-7-4-12-32-20/h1-7,12H,8-11,13-14,16-18H2,(H,27,28).
What are the key properties of 7-benzyl-3-(furan-2-ylmethylamino)-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
7-benzyl-3-(furan-2-ylmethylamino)-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 429.52 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-3-(furan-2-ylmethylamino)-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 4860273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).