5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide

C19H26N4O — CID 109288370

IUPAC5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCCCCN(C)c1cnc(C(=O)Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C19H26N4O/c1-5-6-11-23(4)18-13-20-17(12-21-18)19(24)22-16-9-7-15(8-10-16)14(2)3/h7-10,12-14H,5-6,11H2,1-4H3,(H,22,24)
InChIKeyCYPGWPXNKCYGDC-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.09
Rot. Bonds7

About 5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide

5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide (PubChem CID 109288370) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
PubChem CID109288370
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCCCCN(C)c1cnc(C(=O)Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C19H26N4O/c1-5-6-11-23(4)18-13-20-17(12-21-18)19(24)22-16-9-7-15(8-10-16)14(2)3/h7-10,12-14H,5-6,11H2,1-4H3,(H,22,24)
InChIKeyCYPGWPXNKCYGDC-UHFFFAOYSA-N
XLogP4.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[butyl(methyl)amino]-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109288366
6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109125585
5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 109288431
5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide
CID 109288374
5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282959
5-(diethylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109194751
2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109312235
2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109312894
1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 112824402
3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 108795261
2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 55353682
5-[butyl(methyl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109179517

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide (CID 109288370) is 5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide is CCCCN(C)c1cnc(C(=O)Nc2ccc(C(C)C)cc2)cn1.
What is the InChIKey of 5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is CYPGWPXNKCYGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-6-11-23(4)18-13-20-17(12-21-18)19(24)22-16-9-7-15(8-10-16)14(2)3/h7-10,12-14H,5-6,11H2,1-4H3,(H,22,24).
What are the key properties of 5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?
5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109288370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).