5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide

C19H26N4O — CID 109287909

IUPAC5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCC(C)CCNc1cnc(C(=O)Nc2ccccc2C(C)C)cn1
InChIInChI=1S/C19H26N4O/c1-13(2)9-10-20-18-12-21-17(11-22-18)19(24)23-16-8-6-5-7-15(16)14(3)4/h5-8,11-14H,9-10H2,1-4H3,(H,20,22)(H,23,24)
InChIKeyUGUBPLMWNZSOJP-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.31
Rot. Bonds7

About 5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide

5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide (PubChem CID 109287909) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
PubChem CID109287909
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCC(C)CCNc1cnc(C(=O)Nc2ccccc2C(C)C)cn1
InChIInChI=1S/C19H26N4O/c1-13(2)9-10-20-18-12-21-17(11-22-18)19(24)23-16-8-6-5-7-15(16)14(3)4/h5-8,11-14H,9-10H2,1-4H3,(H,20,22)(H,23,24)
InChIKeyUGUBPLMWNZSOJP-UHFFFAOYSA-N
XLogP4.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109287893
N-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide
CID 109287912
5-(2-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291933
N-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide
CID 109287947
5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291932
N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107643075
5-(4-propan-2-yloxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291937
methyl 3-[[5-(3-methylbutylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109287950
5-(3-methylbutylamino)-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67404827
5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109191897
5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 63724718
5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109272633

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide (CID 109287909) is 5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide is CC(C)CCNc1cnc(C(=O)Nc2ccccc2C(C)C)cn1.
What is the InChIKey of 5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is UGUBPLMWNZSOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13(2)9-10-20-18-12-21-17(11-22-18)19(24)23-16-8-6-5-7-15(16)14(3)4/h5-8,11-14H,9-10H2,1-4H3,(H,20,22)(H,23,24).
What are the key properties of 5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide?
5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109287909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).