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

C22H24N4O2 — CID 109284865

IUPAC5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc(Nc3cc(C)ccc3C)cn2)cc1
InChIInChI=1S/C22H24N4O2/c1-15-4-5-16(2)19(12-15)26-21-14-24-20(13-25-21)22(27)23-11-10-17-6-8-18(28-3)9-7-17/h4-9,12-14H,10-11H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyXRIPNOQFPYWHGT-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.82
Rot. Bonds7

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

5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 109284865) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID109284865
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc(Nc3cc(C)ccc3C)cn2)cc1
InChIInChI=1S/C22H24N4O2/c1-15-4-5-16(2)19(12-15)26-21-14-24-20(13-25-21)22(27)23-11-10-17-6-8-18(28-3)9-7-17/h4-9,12-14H,10-11H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyXRIPNOQFPYWHGT-UHFFFAOYSA-N
XLogP3.82
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284737
5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284888
5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282419
5-(4-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284871
N-[2-(4-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271398
N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
CID 109271001
5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283846
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109285781
N-[2-(4-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283647
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109284467
5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282443
5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109285640

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide (CID 109284865) is 5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide is COc1ccc(CCNC(=O)c2cnc(Nc3cc(C)ccc3C)cn2)cc1.
What is the InChIKey of 5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is XRIPNOQFPYWHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-4-5-16(2)19(12-15)26-21-14-24-20(13-25-21)22(27)23-11-10-17-6-8-18(28-3)9-7-17/h4-9,12-14H,10-11H2,1-3H3,(H,23,27)(H,25,26).
What are the key properties of 5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109284865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).