4-[[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]benzonitrile

C16H15N5O — CID 109273685

IUPAC4-[[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2cnc(C(=O)N3CCCC3)cn2)cc1
InChIInChI=1S/C16H15N5O/c17-9-12-3-5-13(6-4-12)20-15-11-18-14(10-19-15)16(22)21-7-1-2-8-21/h3-6,10-11H,1-2,7-8H2,(H,19,20)
InChIKeyOEGQFDVYJIPZPQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.33
Rot. Bonds3

About 4-[[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]benzonitrile

4-[[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]benzonitrile (PubChem CID 109273685) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-[[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]benzonitrile
PubChem CID109273685
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name4-[[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2cnc(C(=O)N3CCCC3)cn2)cc1
InChIInChI=1S/C16H15N5O/c17-9-12-3-5-13(6-4-12)20-15-11-18-14(10-19-15)16(22)21-7-1-2-8-21/h3-6,10-11H,1-2,7-8H2,(H,19,20)
InChIKeyOEGQFDVYJIPZPQ-UHFFFAOYSA-N
XLogP2.33
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone
CID 109273648
azepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109289223
4-[[5-(piperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109250082
1-[4-[5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279139
[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273663
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)pyrazin-2-yl]methanone
CID 109278506
(5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 109278481
5-(4-cyanoanilino)-N-propylpyrazine-2-carboxamide
CID 109270948
N-[4-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]acetamide
CID 109276515
4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109241313
pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone
CID 109273635
3-[[6-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109196849

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]benzonitrile?
The IUPAC name of 4-[[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]benzonitrile (CID 109273685) is 4-[[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]benzonitrile?
The canonical SMILES for 4-[[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]benzonitrile is N#Cc1ccc(Nc2cnc(C(=O)N3CCCC3)cn2)cc1.
What is the InChIKey of 4-[[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]benzonitrile?
The InChIKey is OEGQFDVYJIPZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c17-9-12-3-5-13(6-4-12)20-15-11-18-14(10-19-15)16(22)21-7-1-2-8-21/h3-6,10-11H,1-2,7-8H2,(H,19,20).
What are the key properties of 4-[[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]benzonitrile?
4-[[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]benzonitrile has a molecular weight of 293.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]benzonitrile is sourced from PubChem (CID 109273685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).