5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide

C19H18N4O2 — CID 109289463

IUPAC5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide
SMILESCCOc1ccc(Nc2cnc(C(=O)Nc3ccccc3)cn2)cc1
InChIInChI=1S/C19H18N4O2/c1-2-25-16-10-8-15(9-11-16)22-18-13-20-17(12-21-18)19(24)23-14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,21,22)(H,23,24)
InChIKeyQHHOLSQESJOIEY-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.87
Rot. Bonds6

About 5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide

5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide (PubChem CID 109289463) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide
PubChem CID109289463
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide
SMILESCCOc1ccc(Nc2cnc(C(=O)Nc3ccccc3)cn2)cc1
InChIInChI=1S/C19H18N4O2/c1-2-25-16-10-8-15(9-11-16)22-18-13-20-17(12-21-18)19(24)23-14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,21,22)(H,23,24)
InChIKeyQHHOLSQESJOIEY-UHFFFAOYSA-N
XLogP3.87
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109293614
N-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide
CID 109293760
5-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293748
5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289423
5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109293739
5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109291428
5-anilino-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289577
5-(methylamino)-N-(4-propoxyphenyl)pyrazine-2-carboxamide
CID 107375410
5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109289534
5-(2-ethoxyanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290053
N-(2-ethylphenyl)-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109291492
N-(4-ethoxyphenyl)quinoxaline-2-carboxamide
CID 2738538

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide (CID 109289463) is 5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide is CCOc1ccc(Nc2cnc(C(=O)Nc3ccccc3)cn2)cc1.
What is the InChIKey of 5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide?
The InChIKey is QHHOLSQESJOIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-25-16-10-8-15(9-11-16)22-18-13-20-17(12-21-18)19(24)23-14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide?
5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 109289463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).