4-[6-[(3-methylphenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol

C21H18N4O — CID 135693240

IUPAC4-[6-[(3-methylphenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol
SMILESCc1cccc(CNc2ccc3ncc(-c4ccc(O)cc4)nc3n2)c1
InChIInChI=1S/C21H18N4O/c1-14-3-2-4-15(11-14)12-23-20-10-9-18-21(25-20)24-19(13-22-18)16-5-7-17(26)8-6-16/h2-11,13,26H,12H2,1H3,(H,23,24,25)
InChIKeyRVWZFJZUYKWLMU-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.32
Rot. Bonds4

About 4-[6-[(3-methylphenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol

4-[6-[(3-methylphenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol (PubChem CID 135693240) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[6-[(3-methylphenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name4-[6-[(3-methylphenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol
PubChem CID135693240
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name4-[6-[(3-methylphenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol
SMILESCc1cccc(CNc2ccc3ncc(-c4ccc(O)cc4)nc3n2)c1
InChIInChI=1S/C21H18N4O/c1-14-3-2-4-15(11-14)12-23-20-10-9-18-21(25-20)24-19(13-22-18)16-5-7-17(26)8-6-16/h2-11,13,26H,12H2,1H3,(H,23,24,25)
InChIKeyRVWZFJZUYKWLMU-UHFFFAOYSA-N
XLogP4.32
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 935994
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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3-methylphenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol?
The IUPAC name of 4-[6-[(3-methylphenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol (CID 135693240) is 4-[6-[(3-methylphenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol.
What is the SMILES notation for 4-[6-[(3-methylphenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol?
The canonical SMILES for 4-[6-[(3-methylphenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol is Cc1cccc(CNc2ccc3ncc(-c4ccc(O)cc4)nc3n2)c1.
What is the InChIKey of 4-[6-[(3-methylphenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol?
The InChIKey is RVWZFJZUYKWLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-3-2-4-15(11-14)12-23-20-10-9-18-21(25-20)24-19(13-22-18)16-5-7-17(26)8-6-16/h2-11,13,26H,12H2,1H3,(H,23,24,25).
What are the key properties of 4-[6-[(3-methylphenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol?
4-[6-[(3-methylphenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol has a molecular weight of 342.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3-methylphenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol is sourced from PubChem (CID 135693240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).