N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide

C14H15N3O2 — CID 1246077

IUPACN-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cnccn1
InChIInChI=1S/C14H15N3O2/c1-19-13-5-3-2-4-11(13)6-7-17-14(18)12-10-15-8-9-16-12/h2-5,8-10H,6-7H2,1H3,(H,17,18)
InChIKeyIBIUTETVXTZQQD-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.46
Rot. Bonds5

About N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide

N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 1246077) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID1246077
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cnccn1
InChIInChI=1S/C14H15N3O2/c1-19-13-5-3-2-4-11(13)6-7-17-14(18)12-10-15-8-9-16-12/h2-5,8-10H,6-7H2,1H3,(H,17,18)
InChIKeyIBIUTETVXTZQQD-UHFFFAOYSA-N
XLogP1.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide (CID 1246077) is N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide is COc1ccccc1CCNC(=O)c1cnccn1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is IBIUTETVXTZQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-13-5-3-2-4-11(13)6-7-17-14(18)12-10-15-8-9-16-12/h2-5,8-10H,6-7H2,1H3,(H,17,18).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 1246077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).