5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide

C22H25N5O2 — CID 109293832

IUPAC5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cnc(Nc2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C22H25N5O2/c1-15(2)29-20-8-6-5-7-18(20)26-22(28)19-13-24-21(14-23-19)25-16-9-11-17(12-10-16)27(3)4/h5-15H,1-4H3,(H,24,25)(H,26,28)
InChIKeyJHFYHGWXLKQINR-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.33
Rot. Bonds7

About 5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide

5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide (PubChem CID 109293832) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
PubChem CID109293832
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cnc(Nc2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C22H25N5O2/c1-15(2)29-20-8-6-5-7-18(20)26-22(28)19-13-24-21(14-23-19)25-16-9-11-17(12-10-16)27(3)4/h5-15H,1-4H3,(H,24,25)(H,26,28)
InChIKeyJHFYHGWXLKQINR-UHFFFAOYSA-N
XLogP4.33
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.33
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-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293616
5-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293748
5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293523
5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293839
N-[4-(dimethylamino)phenyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289786
N-(2-ethylphenyl)-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109291492
N-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109292849
5-(4-propan-2-yloxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291937
5-chloro-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 103817156
N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109293849
5-(2-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
CID 109292270
N-(2,4-difluorophenyl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109293851

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide (CID 109293832) is 5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide is CC(C)Oc1ccccc1NC(=O)c1cnc(Nc2ccc(N(C)C)cc2)cn1.
What is the InChIKey of 5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The InChIKey is JHFYHGWXLKQINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15(2)29-20-8-6-5-7-18(20)26-22(28)19-13-24-21(14-23-19)25-16-9-11-17(12-10-16)27(3)4/h5-15H,1-4H3,(H,24,25)(H,26,28).
What are the key properties of 5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109293832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).