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

C19H21N5O — CID 46833519

IUPACN-(2-methylpropyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine
SMILESCC(C)CNc1nccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C19H21N5O/c1-14(2)13-23-18-19(22-12-11-21-18)25-16-8-6-15(7-9-16)24-17-5-3-4-10-20-17/h3-12,14H,13H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyBTEQBLZHCLSRGE-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.48
Rot. Bonds7

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

N-(2-methylpropyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine (PubChem CID 46833519) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine
PubChem CID46833519
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(2-methylpropyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine
SMILESCC(C)CNc1nccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C19H21N5O/c1-14(2)13-23-18-19(22-12-11-21-18)25-16-8-6-15(7-9-16)24-17-5-3-4-10-20-17/h3-12,14H,13H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyBTEQBLZHCLSRGE-UHFFFAOYSA-N
XLogP4.48
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-methylpropyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine?
The IUPAC name of N-(2-methylpropyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine (CID 46833519) is N-(2-methylpropyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine?
The canonical SMILES for N-(2-methylpropyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine is CC(C)CNc1nccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-(2-methylpropyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine?
The InChIKey is BTEQBLZHCLSRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14(2)13-23-18-19(22-12-11-21-18)25-16-8-6-15(7-9-16)24-17-5-3-4-10-20-17/h3-12,14H,13H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-(2-methylpropyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine?
N-(2-methylpropyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine has a molecular weight of 335.41 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine is sourced from PubChem (CID 46833519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).