5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carbonitrile

C24H19N5O — CID 54760103

IUPAC5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cccnc2OC2CC(Nc3ccc4ccccc4n3)C2)cn1
InChIInChI=1S/C24H19N5O/c25-14-18-9-7-17(15-27-18)21-5-3-11-26-24(21)30-20-12-19(13-20)28-23-10-8-16-4-1-2-6-22(16)29-23/h1-11,15,19-20H,12-13H2,(H,28,29)
InChIKeyXOKPHIOYZUXZHP-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.59
Rot. Bonds5

About 5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carbonitrile

5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carbonitrile (PubChem CID 54760103) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is 5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carbonitrile
PubChem CID54760103
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cccnc2OC2CC(Nc3ccc4ccccc4n3)C2)cn1
InChIInChI=1S/C24H19N5O/c25-14-18-9-7-17(15-27-18)21-5-3-11-26-24(21)30-20-12-19(13-20)28-23-10-8-16-4-1-2-6-22(16)29-23/h1-11,15,19-20H,12-13H2,(H,28,29)
InChIKeyXOKPHIOYZUXZHP-UHFFFAOYSA-N
XLogP4.59
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carbonitrile (CID 54760103) is 5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carbonitrile is N#Cc1ccc(-c2cccnc2OC2CC(Nc3ccc4ccccc4n3)C2)cn1.
What is the InChIKey of 5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carbonitrile?
The InChIKey is XOKPHIOYZUXZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c25-14-18-9-7-17(15-27-18)21-5-3-11-26-24(21)30-20-12-19(13-20)28-23-10-8-16-4-1-2-6-22(16)29-23/h1-11,15,19-20H,12-13H2,(H,28,29).
What are the key properties of 5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carbonitrile?
5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carbonitrile has a molecular weight of 393.45 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carbonitrile is sourced from PubChem (CID 54760103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).