4-[3-(pyridin-4-ylmethylamino)pyrazin-2-yl]phenol

C16H14N4O — CID 137154151

IUPAC4-[3-(pyridin-4-ylmethylamino)pyrazin-2-yl]phenol
SMILESOc1ccc(-c2nccnc2NCc2ccncc2)cc1
InChIInChI=1S/C16H14N4O/c21-14-3-1-13(2-4-14)15-16(19-10-9-18-15)20-11-12-5-7-17-8-6-12/h1-10,21H,11H2,(H,19,20)
InChIKeyQWEBAJNNNDMVCG-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.86
Rot. Bonds4

About 4-[3-(pyridin-4-ylmethylamino)pyrazin-2-yl]phenol

4-[3-(pyridin-4-ylmethylamino)pyrazin-2-yl]phenol (PubChem CID 137154151) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-[3-(pyridin-4-ylmethylamino)pyrazin-2-yl]phenol.

Molecular Properties

Compound Name4-[3-(pyridin-4-ylmethylamino)pyrazin-2-yl]phenol
PubChem CID137154151
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name4-[3-(pyridin-4-ylmethylamino)pyrazin-2-yl]phenol
SMILESOc1ccc(-c2nccnc2NCc2ccncc2)cc1
InChIInChI=1S/C16H14N4O/c21-14-3-1-13(2-4-14)15-16(19-10-9-18-15)20-11-12-5-7-17-8-6-12/h1-10,21H,11H2,(H,19,20)
InChIKeyQWEBAJNNNDMVCG-UHFFFAOYSA-N
XLogP2.86
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3-methylpyrazin-2-yl)amino]methyl]phenol
CID 114332604
3-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 83063577
3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile
CID 115605243
N'-[3-[4-(furan-2-yl)phenyl]pyrazin-2-yl]-N-pyridin-4-ylethane-1,2-diamine
CID 144782546
4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol
CID 113245585
3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 106875469
N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine
CID 130329770
4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenol
CID 113252113
3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid
CID 80517663
4-[(pyridin-4-ylmethylamino)methyl]benzene-1,3-diol
CID 28669626
4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol
CID 114332578
4-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxylic acid
CID 91915956

Frequently Asked Questions

What is the IUPAC name of 4-[3-(pyridin-4-ylmethylamino)pyrazin-2-yl]phenol?
The IUPAC name of 4-[3-(pyridin-4-ylmethylamino)pyrazin-2-yl]phenol (CID 137154151) is 4-[3-(pyridin-4-ylmethylamino)pyrazin-2-yl]phenol.
What is the SMILES notation for 4-[3-(pyridin-4-ylmethylamino)pyrazin-2-yl]phenol?
The canonical SMILES for 4-[3-(pyridin-4-ylmethylamino)pyrazin-2-yl]phenol is Oc1ccc(-c2nccnc2NCc2ccncc2)cc1.
What is the InChIKey of 4-[3-(pyridin-4-ylmethylamino)pyrazin-2-yl]phenol?
The InChIKey is QWEBAJNNNDMVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-14-3-1-13(2-4-14)15-16(19-10-9-18-15)20-11-12-5-7-17-8-6-12/h1-10,21H,11H2,(H,19,20).
What are the key properties of 4-[3-(pyridin-4-ylmethylamino)pyrazin-2-yl]phenol?
4-[3-(pyridin-4-ylmethylamino)pyrazin-2-yl]phenol has a molecular weight of 278.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(pyridin-4-ylmethylamino)pyrazin-2-yl]phenol is sourced from PubChem (CID 137154151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).