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

C17H17N5O — CID 46832916

IUPACN-ethyl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine
SMILESCCNc1nccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C17H17N5O/c1-2-18-16-17(21-12-11-20-16)23-14-8-6-13(7-9-14)22-15-5-3-4-10-19-15/h3-12H,2H2,1H3,(H,18,20)(H,19,22)
InChIKeyHEBUVSZUBXENIG-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.84
Rot. Bonds6

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

N-ethyl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine (PubChem CID 46832916) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-ethyl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine
PubChem CID46832916
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-ethyl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine
SMILESCCNc1nccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C17H17N5O/c1-2-18-16-17(21-12-11-20-16)23-14-8-6-13(7-9-14)22-15-5-3-4-10-19-15/h3-12H,2H2,1H3,(H,18,20)(H,19,22)
InChIKeyHEBUVSZUBXENIG-UHFFFAOYSA-N
XLogP3.84
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine?
The IUPAC name of N-ethyl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine (CID 46832916) is N-ethyl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine.
What is the SMILES notation for N-ethyl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine?
The canonical SMILES for N-ethyl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine is CCNc1nccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-ethyl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine?
The InChIKey is HEBUVSZUBXENIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-2-18-16-17(21-12-11-20-16)23-14-8-6-13(7-9-14)22-15-5-3-4-10-19-15/h3-12H,2H2,1H3,(H,18,20)(H,19,22).
What are the key properties of N-ethyl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine?
N-ethyl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine has a molecular weight of 307.36 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine is sourced from PubChem (CID 46832916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).