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

C17H22N4O2 — CID 109271398

IUPACN-[2-(4-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc(NC(C)C)cn2)cc1
InChIInChI=1S/C17H22N4O2/c1-12(2)21-16-11-19-15(10-20-16)17(22)18-9-8-13-4-6-14(23-3)7-5-13/h4-7,10-12H,8-9H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyGHECBVQDWJKRCX-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.28
Rot. Bonds7

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

N-[2-(4-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide (PubChem CID 109271398) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide
PubChem CID109271398
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc(NC(C)C)cn2)cc1
InChIInChI=1S/C17H22N4O2/c1-12(2)21-16-11-19-15(10-20-16)17(22)18-9-8-13-4-6-14(23-3)7-5-13/h4-7,10-12H,8-9H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyGHECBVQDWJKRCX-UHFFFAOYSA-N
XLogP2.28
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284888
N-[2-(4-methoxyphenyl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 84570795
N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
CID 109271001
5-(4-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284871
N-[2-(4-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283647
5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284865
5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109279490
5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109273358
N-[2-(4-methoxyphenoxy)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283924
5-[4-(4-methoxyphenyl)butan-2-ylamino]pyrazine-2-carboxylic acid
CID 122047940
6-hydrazinyl-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 62237050
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109284467

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide (CID 109271398) is N-[2-(4-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide is COc1ccc(CCNC(=O)c2cnc(NC(C)C)cn2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide?
The InChIKey is GHECBVQDWJKRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(2)21-16-11-19-15(10-20-16)17(22)18-9-8-13-4-6-14(23-3)7-5-13/h4-7,10-12H,8-9H2,1-3H3,(H,18,22)(H,20,21).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.28, 7 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-(propan-2-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109271398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).