1-[3-[1-(1,6-naphthyridin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile

C21H21N7 — CID 58547580

IUPAC1-[3-[1-(1,6-naphthyridin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2nccnc2C2CN(c3ccc4cnccc4n3)C2)CC1
InChIInChI=1S/C21H21N7/c22-11-15-4-9-27(10-5-15)21-20(24-7-8-25-21)17-13-28(14-17)19-2-1-16-12-23-6-3-18(16)26-19/h1-3,6-8,12,15,17H,4-5,9-10,13-14H2
InChIKeyDWRLGKJIMKFREJ-UHFFFAOYSA-N
MW371.45 g/mol
LogP2.76
Rot. Bonds3

About 1-[3-[1-(1,6-naphthyridin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile

1-[3-[1-(1,6-naphthyridin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile (PubChem CID 58547580) has the molecular formula C21H21N7 and a molecular weight of 371.45 g/mol. Its IUPAC name is 1-[3-[1-(1,6-naphthyridin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-[1-(1,6-naphthyridin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
PubChem CID58547580
Molecular FormulaC21H21N7
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name1-[3-[1-(1,6-naphthyridin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2nccnc2C2CN(c3ccc4cnccc4n3)C2)CC1
InChIInChI=1S/C21H21N7/c22-11-15-4-9-27(10-5-15)21-20(24-7-8-25-21)17-13-28(14-17)19-2-1-16-12-23-6-3-18(16)26-19/h1-3,6-8,12,15,17H,4-5,9-10,13-14H2
InChIKeyDWRLGKJIMKFREJ-UHFFFAOYSA-N
XLogP2.76
TPSA81.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-[1-(1,6-naphthyridin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(1,6-naphthyridin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
The IUPAC name of 1-[3-[1-(1,6-naphthyridin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile (CID 58547580) is 1-[3-[1-(1,6-naphthyridin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-[1-(1,6-naphthyridin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[3-[1-(1,6-naphthyridin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile is N#CC1CCN(c2nccnc2C2CN(c3ccc4cnccc4n3)C2)CC1.
What is the InChIKey of 1-[3-[1-(1,6-naphthyridin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
The InChIKey is DWRLGKJIMKFREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7/c22-11-15-4-9-27(10-5-15)21-20(24-7-8-25-21)17-13-28(14-17)19-2-1-16-12-23-6-3-18(16)26-19/h1-3,6-8,12,15,17H,4-5,9-10,13-14H2.
What are the key properties of 1-[3-[1-(1,6-naphthyridin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
1-[3-[1-(1,6-naphthyridin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile has a molecular weight of 371.45 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(1,6-naphthyridin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile is sourced from PubChem (CID 58547580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).