N-tert-butyl-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide

C18H24N4O2 — CID 109287277

IUPACN-tert-butyl-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
SMILESCC(C)Oc1ccccc1Nc1cnc(C(=O)NC(C)(C)C)cn1
InChIInChI=1S/C18H24N4O2/c1-12(2)24-15-9-7-6-8-13(15)21-16-11-19-14(10-20-16)17(23)22-18(3,4)5/h6-12H,1-5H3,(H,20,21)(H,22,23)
InChIKeyXLWSJLCXKULGJJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.54
Rot. Bonds5

About N-tert-butyl-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide

N-tert-butyl-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide (PubChem CID 109287277) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-tert-butyl-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
PubChem CID109287277
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-tert-butyl-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
SMILESCC(C)Oc1ccccc1Nc1cnc(C(=O)NC(C)(C)C)cn1
InChIInChI=1S/C18H24N4O2/c1-12(2)24-15-9-7-6-8-13(15)21-16-11-19-14(10-20-16)17(23)22-18(3,4)5/h6-12H,1-5H3,(H,20,21)(H,22,23)
InChIKeyXLWSJLCXKULGJJ-UHFFFAOYSA-N
XLogP3.54
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109293851
N-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109282251
6-N-tert-butyl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109099182
N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109293849
5-(4-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293616
5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293832
5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293523
5-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293748
2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide
CID 113019828
5-chloro-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 103817156
N-tert-butyl-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271428
5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293839

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide (CID 109287277) is N-tert-butyl-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide is CC(C)Oc1ccccc1Nc1cnc(C(=O)NC(C)(C)C)cn1.
What is the InChIKey of N-tert-butyl-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide?
The InChIKey is XLWSJLCXKULGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12(2)24-15-9-7-6-8-13(15)21-16-11-19-14(10-20-16)17(23)22-18(3,4)5/h6-12H,1-5H3,(H,20,21)(H,22,23).
What are the key properties of N-tert-butyl-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide?
N-tert-butyl-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109287277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).