7-cyclohexyl-1-hydroxy-3-oxo-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile

C15H19N3O2 — CID 910611

IUPAC7-cyclohexyl-1-hydroxy-3-oxo-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c2c(c(O)[nH]c1=O)CN(C1CCCCC1)CC2
InChIInChI=1S/C15H19N3O2/c16-8-12-11-6-7-18(10-4-2-1-3-5-10)9-13(11)15(20)17-14(12)19/h10H,1-7,9H2,(H2,17,19,20)
InChIKeyUNZQLMCCQZDINO-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.64
Rot. Bonds1

About 7-cyclohexyl-1-hydroxy-3-oxo-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile

7-cyclohexyl-1-hydroxy-3-oxo-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile (PubChem CID 910611) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 7-cyclohexyl-1-hydroxy-3-oxo-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name7-cyclohexyl-1-hydroxy-3-oxo-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
PubChem CID910611
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name7-cyclohexyl-1-hydroxy-3-oxo-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c2c(c(O)[nH]c1=O)CN(C1CCCCC1)CC2
InChIInChI=1S/C15H19N3O2/c16-8-12-11-6-7-18(10-4-2-1-3-5-10)9-13(11)15(20)17-14(12)19/h10H,1-7,9H2,(H2,17,19,20)
InChIKeyUNZQLMCCQZDINO-UHFFFAOYSA-N
XLogP1.64
TPSA80.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-1-hydroxy-3-oxo-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 7-cyclohexyl-1-hydroxy-3-oxo-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile (CID 910611) is 7-cyclohexyl-1-hydroxy-3-oxo-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 7-cyclohexyl-1-hydroxy-3-oxo-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 7-cyclohexyl-1-hydroxy-3-oxo-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile is N#Cc1c2c(c(O)[nH]c1=O)CN(C1CCCCC1)CC2.
What is the InChIKey of 7-cyclohexyl-1-hydroxy-3-oxo-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile?
The InChIKey is UNZQLMCCQZDINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-8-12-11-6-7-18(10-4-2-1-3-5-10)9-13(11)15(20)17-14(12)19/h10H,1-7,9H2,(H2,17,19,20).
What are the key properties of 7-cyclohexyl-1-hydroxy-3-oxo-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile?
7-cyclohexyl-1-hydroxy-3-oxo-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-1-hydroxy-3-oxo-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 910611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).