N-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide

C21H23N5O2 — CID 109293760

IUPACN-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide
SMILESCCOc1ccc(Nc2cnc(C(=O)Nc3ccc(N(C)C)cc3)cn2)cc1
InChIInChI=1S/C21H23N5O2/c1-4-28-18-11-7-15(8-12-18)24-20-14-22-19(13-23-20)21(27)25-16-5-9-17(10-6-16)26(2)3/h5-14H,4H2,1-3H3,(H,23,24)(H,25,27)
InChIKeyHQVWEBFGYNLWOZ-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.94
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide

N-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide (PubChem CID 109293760) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide
PubChem CID109293760
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide
SMILESCCOc1ccc(Nc2cnc(C(=O)Nc3ccc(N(C)C)cc3)cn2)cc1
InChIInChI=1S/C21H23N5O2/c1-4-28-18-11-7-15(8-12-18)24-20-14-22-19(13-23-20)21(27)25-16-5-9-17(10-6-16)26(2)3/h5-14H,4H2,1-3H3,(H,23,24)(H,25,27)
InChIKeyHQVWEBFGYNLWOZ-UHFFFAOYSA-N
XLogP3.94
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide
CID 109289463
N-(4-ethoxyphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109293614
N-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109292849
6-[4-(dimethylamino)anilino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164189
5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109291428
5-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293748
N-[4-(dimethylamino)phenyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289786
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109294263
5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109293739
5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293832
N-(4-ethoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639683
5-(methylamino)-N-(4-propoxyphenyl)pyrazine-2-carboxamide
CID 107375410

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide (CID 109293760) is N-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide is CCOc1ccc(Nc2cnc(C(=O)Nc3ccc(N(C)C)cc3)cn2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide?
The InChIKey is HQVWEBFGYNLWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-4-28-18-11-7-15(8-12-18)24-20-14-22-19(13-23-20)21(27)25-16-5-9-17(10-6-16)26(2)3/h5-14H,4H2,1-3H3,(H,23,24)(H,25,27).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide?
N-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109293760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).