3-methoxy-4-[[6-(propylamino)pyrazin-2-yl]amino]benzonitrile

C15H17N5O — CID 104850186

IUPAC3-methoxy-4-[[6-(propylamino)pyrazin-2-yl]amino]benzonitrile
SMILESCCCNc1cncc(Nc2ccc(C#N)cc2OC)n1
InChIInChI=1S/C15H17N5O/c1-3-6-18-14-9-17-10-15(20-14)19-12-5-4-11(8-16)7-13(12)21-2/h4-5,7,9-10H,3,6H2,1-2H3,(H2,18,19,20)
InChIKeyFACORXJSEOLLJX-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.92
Rot. Bonds6

About 3-methoxy-4-[[6-(propylamino)pyrazin-2-yl]amino]benzonitrile

3-methoxy-4-[[6-(propylamino)pyrazin-2-yl]amino]benzonitrile (PubChem CID 104850186) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-methoxy-4-[[6-(propylamino)pyrazin-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name3-methoxy-4-[[6-(propylamino)pyrazin-2-yl]amino]benzonitrile
PubChem CID104850186
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name3-methoxy-4-[[6-(propylamino)pyrazin-2-yl]amino]benzonitrile
SMILESCCCNc1cncc(Nc2ccc(C#N)cc2OC)n1
InChIInChI=1S/C15H17N5O/c1-3-6-18-14-9-17-10-15(20-14)19-12-5-4-11(8-16)7-13(12)21-2/h4-5,7,9-10H,3,6H2,1-2H3,(H2,18,19,20)
InChIKeyFACORXJSEOLLJX-UHFFFAOYSA-N
XLogP2.92
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(heptylamino)-3-methoxybenzonitrile
CID 104848308
2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine
CID 107623581
4-[(6-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile
CID 104849775
3-methoxy-5-[6-(propylamino)pyrazin-2-yl]oxybenzonitrile
CID 103568437
2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile
CID 80822691
4-(3-ethoxypropylamino)-3-methoxybenzonitrile
CID 104848581
ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430
3-methoxy-4-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80866910
4-(4-hydroxybutylamino)-3-methoxybenzonitrile
CID 104848657
2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80757277
4-[2-(dimethylamino)ethylamino]-3-methoxybenzonitrile
CID 104848661
4-(cyclobutylmethylamino)-3-methoxybenzonitrile
CID 104843580

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[6-(propylamino)pyrazin-2-yl]amino]benzonitrile?
The IUPAC name of 3-methoxy-4-[[6-(propylamino)pyrazin-2-yl]amino]benzonitrile (CID 104850186) is 3-methoxy-4-[[6-(propylamino)pyrazin-2-yl]amino]benzonitrile.
What is the SMILES notation for 3-methoxy-4-[[6-(propylamino)pyrazin-2-yl]amino]benzonitrile?
The canonical SMILES for 3-methoxy-4-[[6-(propylamino)pyrazin-2-yl]amino]benzonitrile is CCCNc1cncc(Nc2ccc(C#N)cc2OC)n1.
What is the InChIKey of 3-methoxy-4-[[6-(propylamino)pyrazin-2-yl]amino]benzonitrile?
The InChIKey is FACORXJSEOLLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-3-6-18-14-9-17-10-15(20-14)19-12-5-4-11(8-16)7-13(12)21-2/h4-5,7,9-10H,3,6H2,1-2H3,(H2,18,19,20).
What are the key properties of 3-methoxy-4-[[6-(propylamino)pyrazin-2-yl]amino]benzonitrile?
3-methoxy-4-[[6-(propylamino)pyrazin-2-yl]amino]benzonitrile has a molecular weight of 283.34 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[6-(propylamino)pyrazin-2-yl]amino]benzonitrile is sourced from PubChem (CID 104850186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).