7-cyclohexyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C23H33N5O2 — CID 3771706

IUPAC7-cyclohexyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c(N2CCOCC2)nc(N2CCOCC2)c2c1CCN(C1CCCCC1)C2
InChIInChI=1S/C23H33N5O2/c24-16-20-19-6-7-28(18-4-2-1-3-5-18)17-21(19)23(27-10-14-30-15-11-27)25-22(20)26-8-12-29-13-9-26/h18H,1-15,17H2
InChIKeyNWJIJYKFDLDNEY-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.32
Rot. Bonds3

About 7-cyclohexyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

7-cyclohexyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 3771706) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 7-cyclohexyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name7-cyclohexyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID3771706
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name7-cyclohexyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c(N2CCOCC2)nc(N2CCOCC2)c2c1CCN(C1CCCCC1)C2
InChIInChI=1S/C23H33N5O2/c24-16-20-19-6-7-28(18-4-2-1-3-5-18)17-21(19)23(27-10-14-30-15-11-27)25-22(20)26-8-12-29-13-9-26/h18H,1-15,17H2
InChIKeyNWJIJYKFDLDNEY-UHFFFAOYSA-N
XLogP2.32
TPSA64.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 7-cyclohexyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 3771706) is 7-cyclohexyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 7-cyclohexyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 7-cyclohexyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is N#Cc1c(N2CCOCC2)nc(N2CCOCC2)c2c1CCN(C1CCCCC1)C2.
What is the InChIKey of 7-cyclohexyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is NWJIJYKFDLDNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c24-16-20-19-6-7-28(18-4-2-1-3-5-18)17-21(19)23(27-10-14-30-15-11-27)25-22(20)26-8-12-29-13-9-26/h18H,1-15,17H2.
What are the key properties of 7-cyclohexyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
7-cyclohexyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 411.55 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 3771706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).