N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide

C22H24N4O2 — CID 109292055

IUPACN-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc(Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C22H24N4O2/c1-14(2)16-6-8-17(9-7-16)25-21-13-23-19(12-24-21)22(27)26-18-11-15(3)5-10-20(18)28-4/h5-14H,1-4H3,(H,24,25)(H,26,27)
InChIKeyPBQORAKUFINNBP-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.91
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide

N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide (PubChem CID 109292055) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
PubChem CID109292055
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc(Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C22H24N4O2/c1-14(2)16-6-8-17(9-7-16)25-21-13-23-19(12-24-21)22(27)26-18-11-15(3)5-10-20(18)28-4/h5-14H,1-4H3,(H,24,25)(H,26,27)
InChIKeyPBQORAKUFINNBP-UHFFFAOYSA-N
XLogP4.91
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-anilino-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109289569
5-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109292670
5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293804
N-(2-methoxy-5-methylphenyl)-5-(2-methyl-6-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109292218
5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109293781
5-(2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293379
N-(2-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109292615
5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 103817028
N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243868
N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109290725
5-anilino-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289572
5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109290833

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide (CID 109292055) is N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide is COc1ccc(C)cc1NC(=O)c1cnc(Nc2ccc(C(C)C)cc2)cn1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide?
The InChIKey is PBQORAKUFINNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14(2)16-6-8-17(9-7-16)25-21-13-23-19(12-24-21)22(27)26-18-11-15(3)5-10-20(18)28-4/h5-14H,1-4H3,(H,24,25)(H,26,27).
What are the key properties of N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide?
N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109292055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).