3-phenylmethoxy-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclobutane-1-carbonitrile

C20H21N3O — CID 155093179

IUPAC3-phenylmethoxy-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclobutane-1-carbonitrile
SMILESN#CC1(c2ccc3c(n2)CCCN3)CC(OCc2ccccc2)C1
InChIInChI=1S/C20H21N3O/c21-14-20(19-9-8-17-18(23-19)7-4-10-22-17)11-16(12-20)24-13-15-5-2-1-3-6-15/h1-3,5-6,8-9,16,22H,4,7,10-13H2
InChIKeyUQPSFKAVOPCQKT-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.58
Rot. Bonds4

About 3-phenylmethoxy-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclobutane-1-carbonitrile

3-phenylmethoxy-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclobutane-1-carbonitrile (PubChem CID 155093179) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-phenylmethoxy-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-phenylmethoxy-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclobutane-1-carbonitrile
PubChem CID155093179
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-phenylmethoxy-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclobutane-1-carbonitrile
SMILESN#CC1(c2ccc3c(n2)CCCN3)CC(OCc2ccccc2)C1
InChIInChI=1S/C20H21N3O/c21-14-20(19-9-8-17-18(23-19)7-4-10-22-17)11-16(12-20)24-13-15-5-2-1-3-6-15/h1-3,5-6,8-9,16,22H,4,7,10-13H2
InChIKeyUQPSFKAVOPCQKT-UHFFFAOYSA-N
XLogP3.58
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclobutane-1-carbonitrile?
The IUPAC name of 3-phenylmethoxy-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclobutane-1-carbonitrile (CID 155093179) is 3-phenylmethoxy-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-phenylmethoxy-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclobutane-1-carbonitrile?
The canonical SMILES for 3-phenylmethoxy-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclobutane-1-carbonitrile is N#CC1(c2ccc3c(n2)CCCN3)CC(OCc2ccccc2)C1.
What is the InChIKey of 3-phenylmethoxy-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclobutane-1-carbonitrile?
The InChIKey is UQPSFKAVOPCQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c21-14-20(19-9-8-17-18(23-19)7-4-10-22-17)11-16(12-20)24-13-15-5-2-1-3-6-15/h1-3,5-6,8-9,16,22H,4,7,10-13H2.
What are the key properties of 3-phenylmethoxy-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclobutane-1-carbonitrile?
3-phenylmethoxy-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclobutane-1-carbonitrile has a molecular weight of 319.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 155093179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).