5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide

C19H26N4O — CID 109273413

IUPAC5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCCC(C)Nc1cnc(C(=O)Nc2c(C)cccc2C(C)C)cn1
InChIInChI=1S/C19H26N4O/c1-6-14(5)22-17-11-20-16(10-21-17)19(24)23-18-13(4)8-7-9-15(18)12(2)3/h7-12,14H,6H2,1-5H3,(H,21,22)(H,23,24)
InChIKeyYYTICFQXCWUQKX-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.37
Rot. Bonds6

About 5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide

5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide (PubChem CID 109273413) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
PubChem CID109273413
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCCC(C)Nc1cnc(C(=O)Nc2c(C)cccc2C(C)C)cn1
InChIInChI=1S/C19H26N4O/c1-6-14(5)22-17-11-20-16(10-21-17)19(24)23-18-13(4)8-7-9-15(18)12(2)3/h7-12,14H,6H2,1-5H3,(H,21,22)(H,23,24)
InChIKeyYYTICFQXCWUQKX-UHFFFAOYSA-N
XLogP4.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydrazinyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 107377417
5-(cyclopentylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109274174
5-(diethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109286891
5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109280424
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109284540
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773
5-(diethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109194754
5-(3-methoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109292193
5-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109273399
5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109273434
5-(N-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109290316
1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 45366518

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide (CID 109273413) is 5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide is CCC(C)Nc1cnc(C(=O)Nc2c(C)cccc2C(C)C)cn1.
What is the InChIKey of 5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is YYTICFQXCWUQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-6-14(5)22-17-11-20-16(10-21-17)19(24)23-18-13(4)8-7-9-15(18)12(2)3/h7-12,14H,6H2,1-5H3,(H,21,22)(H,23,24).
What are the key properties of 5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide?
5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109273413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).