1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide

C22H24N6O2 — CID 58547692

IUPAC1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C22H24N6O2/c23-20(29)16-7-11-27(12-8-16)21-22(25-10-9-24-21)30-17-13-28(14-17)19-6-5-15-3-1-2-4-18(15)26-19/h1-6,9-10,16-17H,7-8,11-14H2,(H2,23,29)
InChIKeyBHKIITDREWTNIK-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.99
Rot. Bonds5

About 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide

1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 58547692) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide
PubChem CID58547692
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C22H24N6O2/c23-20(29)16-7-11-27(12-8-16)21-22(25-10-9-24-21)30-17-13-28(14-17)19-6-5-15-3-1-2-4-18(15)26-19/h1-6,9-10,16-17H,7-8,11-14H2,(H2,23,29)
InChIKeyBHKIITDREWTNIK-UHFFFAOYSA-N
XLogP1.99
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide (CID 58547692) is 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is BHKIITDREWTNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c23-20(29)16-7-11-27(12-8-16)21-22(25-10-9-24-21)30-17-13-28(14-17)19-6-5-15-3-1-2-4-18(15)26-19/h1-6,9-10,16-17H,7-8,11-14H2,(H2,23,29).
What are the key properties of 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide?
1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 58547692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).