N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide

C17H22N4O2 — CID 109271001

IUPACN-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCCc2ccc(OC)cc2)cn1
InChIInChI=1S/C17H22N4O2/c1-3-9-18-16-12-20-15(11-21-16)17(22)19-10-8-13-4-6-14(23-2)7-5-13/h4-7,11-12H,3,8-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyRJXUZJXSLIGFJW-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.28
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 109271001) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
PubChem CID109271001
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCCc2ccc(OC)cc2)cn1
InChIInChI=1S/C17H22N4O2/c1-3-9-18-16-12-20-15(11-21-16)17(22)19-10-8-13-4-6-14(23-2)7-5-13/h4-7,11-12H,3,8-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyRJXUZJXSLIGFJW-UHFFFAOYSA-N
XLogP2.28
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide
CID 109270830
5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284888
N-[2-(4-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283647
N-[2-(4-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271398
5-(4-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284871
N-[2-(4-methoxyphenoxy)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283924
5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109272575
5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109279490
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966
5-(propylamino)-N-(2-thiophen-3-ylethyl)pyrazine-2-carboxamide
CID 107375151
5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284865
N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107376316

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide (CID 109271001) is N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)NCCc2ccc(OC)cc2)cn1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is RJXUZJXSLIGFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-9-18-16-12-20-15(11-21-16)17(22)19-10-8-13-4-6-14(23-2)7-5-13/h4-7,11-12H,3,8-10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109271001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).