N-[2-[[6-(4-methoxyphenoxy)pyrazin-2-yl]-methylamino]ethyl]formamide

C15H18N4O3 — CID 118588777

IUPACN-[2-[[6-(4-methoxyphenoxy)pyrazin-2-yl]-methylamino]ethyl]formamide
SMILESCOc1ccc(Oc2cncc(N(C)CCNC=O)n2)cc1
InChIInChI=1S/C15H18N4O3/c1-19(8-7-16-11-20)14-9-17-10-15(18-14)22-13-5-3-12(21-2)4-6-13/h3-6,9-11H,7-8H2,1-2H3,(H,16,20)
InChIKeySMQCJRBDMSFALR-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.46
Rot. Bonds8

About N-[2-[[6-(4-methoxyphenoxy)pyrazin-2-yl]-methylamino]ethyl]formamide

N-[2-[[6-(4-methoxyphenoxy)pyrazin-2-yl]-methylamino]ethyl]formamide (PubChem CID 118588777) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[2-[[6-(4-methoxyphenoxy)pyrazin-2-yl]-methylamino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[[6-(4-methoxyphenoxy)pyrazin-2-yl]-methylamino]ethyl]formamide
PubChem CID118588777
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[2-[[6-(4-methoxyphenoxy)pyrazin-2-yl]-methylamino]ethyl]formamide
SMILESCOc1ccc(Oc2cncc(N(C)CCNC=O)n2)cc1
InChIInChI=1S/C15H18N4O3/c1-19(8-7-16-11-20)14-9-17-10-15(18-14)22-13-5-3-12(21-2)4-6-13/h3-6,9-11H,7-8H2,1-2H3,(H,16,20)
InChIKeySMQCJRBDMSFALR-UHFFFAOYSA-N
XLogP1.46
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(4-methoxyphenoxy)pyrazin-2-yl]-methylamino]ethyl]formamide?
The IUPAC name of N-[2-[[6-(4-methoxyphenoxy)pyrazin-2-yl]-methylamino]ethyl]formamide (CID 118588777) is N-[2-[[6-(4-methoxyphenoxy)pyrazin-2-yl]-methylamino]ethyl]formamide.
What is the SMILES notation for N-[2-[[6-(4-methoxyphenoxy)pyrazin-2-yl]-methylamino]ethyl]formamide?
The canonical SMILES for N-[2-[[6-(4-methoxyphenoxy)pyrazin-2-yl]-methylamino]ethyl]formamide is COc1ccc(Oc2cncc(N(C)CCNC=O)n2)cc1.
What is the InChIKey of N-[2-[[6-(4-methoxyphenoxy)pyrazin-2-yl]-methylamino]ethyl]formamide?
The InChIKey is SMQCJRBDMSFALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-19(8-7-16-11-20)14-9-17-10-15(18-14)22-13-5-3-12(21-2)4-6-13/h3-6,9-11H,7-8H2,1-2H3,(H,16,20).
What are the key properties of N-[2-[[6-(4-methoxyphenoxy)pyrazin-2-yl]-methylamino]ethyl]formamide?
N-[2-[[6-(4-methoxyphenoxy)pyrazin-2-yl]-methylamino]ethyl]formamide has a molecular weight of 302.33 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(4-methoxyphenoxy)pyrazin-2-yl]-methylamino]ethyl]formamide is sourced from PubChem (CID 118588777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).