5-(4-acetylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide

C22H22N4O3 — CID 109293861

IUPAC5-(4-acetylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
SMILESCC(=O)c1ccc(Nc2cnc(C(=O)Nc3ccc(OC(C)C)cc3)cn2)cc1
InChIInChI=1S/C22H22N4O3/c1-14(2)29-19-10-8-18(9-11-19)26-22(28)20-12-24-21(13-23-20)25-17-6-4-16(5-7-17)15(3)27/h4-14H,1-3H3,(H,24,25)(H,26,28)
InChIKeyYREPBPVDYVOUGJ-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.46
Rot. Bonds7

About 5-(4-acetylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide

5-(4-acetylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide (PubChem CID 109293861) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 5-(4-acetylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
PubChem CID109293861
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name5-(4-acetylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
SMILESCC(=O)c1ccc(Nc2cnc(C(=O)Nc3ccc(OC(C)C)cc3)cn2)cc1
InChIInChI=1S/C22H22N4O3/c1-14(2)29-19-10-8-18(9-11-19)26-22(28)20-12-24-21(13-23-20)25-17-6-4-16(5-7-17)15(3)27/h4-14H,1-3H3,(H,24,25)(H,26,28)
InChIKeyYREPBPVDYVOUGJ-UHFFFAOYSA-N
XLogP4.46
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-propan-2-yloxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291937
N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294086
N-(2-ethylphenyl)-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109291492
methyl 4-[[5-(4-methoxyanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293630
N-(4-acetylphenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317994
5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293034
5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293804
5-(4-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293616
N-(4-acetylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282562
N-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide
CID 109294079
N-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide
CID 109294080
5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide
CID 109289463

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-acetylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide (CID 109293861) is 5-(4-acetylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-acetylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-acetylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide is CC(=O)c1ccc(Nc2cnc(C(=O)Nc3ccc(OC(C)C)cc3)cn2)cc1.
What is the InChIKey of 5-(4-acetylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The InChIKey is YREPBPVDYVOUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-14(2)29-19-10-8-18(9-11-19)26-22(28)20-12-24-21(13-23-20)25-17-6-4-16(5-7-17)15(3)27/h4-14H,1-3H3,(H,24,25)(H,26,28).
What are the key properties of 5-(4-acetylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
5-(4-acetylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109293861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).