3-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyrazin-2-amine

C21H18N6O — CID 59374283

IUPAC3-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyrazin-2-amine
SMILESc1ccc(Nc2ccc(Oc3nccnc3NCc3cccnc3)cc2)nc1
InChIInChI=1S/C21H18N6O/c1-2-11-23-19(5-1)27-17-6-8-18(9-7-17)28-21-20(24-12-13-25-21)26-15-16-4-3-10-22-14-16/h1-14H,15H2,(H,23,27)(H,24,26)
InChIKeyMRDJHMRIXGLWCX-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.41
Rot. Bonds7

About 3-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyrazin-2-amine

3-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyrazin-2-amine (PubChem CID 59374283) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 3-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyrazin-2-amine
PubChem CID59374283
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name3-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyrazin-2-amine
SMILESc1ccc(Nc2ccc(Oc3nccnc3NCc3cccnc3)cc2)nc1
InChIInChI=1S/C21H18N6O/c1-2-11-23-19(5-1)27-17-6-8-18(9-7-17)28-21-20(24-12-13-25-21)26-15-16-4-3-10-22-14-16/h1-14H,15H2,(H,23,27)(H,24,26)
InChIKeyMRDJHMRIXGLWCX-UHFFFAOYSA-N
XLogP4.41
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-pyrazin-2-yloxyphenyl)pyridin-2-amine
CID 59374194
2-N-(4-phenoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893518
N-[4-[[3-(1H-pyrazol-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
CID 59374061
6-(4-bromophenoxy)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542905
N-[4-[[3-[(2-methylprop-2-enylamino)methyl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine
CID 91503354
3-fluoro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62733975
1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
CID 139175237
[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol
CID 67569571
6-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 42691281
N-(2-hydroxyethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374271
N-[4-(pyridin-4-ylmethyl)phenyl]pyridin-2-amine
CID 82535700
N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191420

Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyrazin-2-amine?
The IUPAC name of 3-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyrazin-2-amine (CID 59374283) is 3-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 3-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 3-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyrazin-2-amine is c1ccc(Nc2ccc(Oc3nccnc3NCc3cccnc3)cc2)nc1.
What is the InChIKey of 3-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyrazin-2-amine?
The InChIKey is MRDJHMRIXGLWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-2-11-23-19(5-1)27-17-6-8-18(9-7-17)28-21-20(24-12-13-25-21)26-15-16-4-3-10-22-14-16/h1-14H,15H2,(H,23,27)(H,24,26).
What are the key properties of 3-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyrazin-2-amine?
3-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyrazin-2-amine has a molecular weight of 370.42 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 59374283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).