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

C22H24N6O — CID 54675582

IUPAC1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C22H24N6O/c23-21(29)16-7-11-27(12-8-16)22-20(24-9-10-25-22)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)
InChIKeyRDISXHYFVLOZDN-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.33
Rot. Bonds4

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

1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 54675582) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide
PubChem CID54675582
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C22H24N6O/c23-21(29)16-7-11-27(12-8-16)22-20(24-9-10-25-22)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)
InChIKeyRDISXHYFVLOZDN-UHFFFAOYSA-N
XLogP2.33
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide (CID 54675582) is 1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of 1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is RDISXHYFVLOZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c23-21(29)16-7-11-27(12-8-16)22-20(24-9-10-25-22)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)pyrazin-2-yl]piperidine-4-carboxamide?
1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 54675582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).