6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-3-methylpyrazine-2-carboxamide

C18H20F2N4O — CID 155352178

IUPAC6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-3-methylpyrazine-2-carboxamide
SMILESCc1ncc(Nc2cc(F)cc(F)c2)nc1C(=O)NC1CCC1(C)C
InChIInChI=1S/C18H20F2N4O/c1-10-16(17(25)23-14-4-5-18(14,2)3)24-15(9-21-10)22-13-7-11(19)6-12(20)8-13/h6-9,14H,4-5H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyIKWJASRDXFYASO-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.73
Rot. Bonds4

About 6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-3-methylpyrazine-2-carboxamide

6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-3-methylpyrazine-2-carboxamide (PubChem CID 155352178) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is 6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-3-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-3-methylpyrazine-2-carboxamide
PubChem CID155352178
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC Name6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-3-methylpyrazine-2-carboxamide
SMILESCc1ncc(Nc2cc(F)cc(F)c2)nc1C(=O)NC1CCC1(C)C
InChIInChI=1S/C18H20F2N4O/c1-10-16(17(25)23-14-4-5-18(14,2)3)24-15(9-21-10)22-13-7-11(19)6-12(20)8-13/h6-9,14H,4-5H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyIKWJASRDXFYASO-UHFFFAOYSA-N
XLogP3.73
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-3-methylpyrazine-2-carboxamide?
The IUPAC name of 6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-3-methylpyrazine-2-carboxamide (CID 155352178) is 6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-3-methylpyrazine-2-carboxamide.
What is the SMILES notation for 6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-3-methylpyrazine-2-carboxamide?
The canonical SMILES for 6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-3-methylpyrazine-2-carboxamide is Cc1ncc(Nc2cc(F)cc(F)c2)nc1C(=O)NC1CCC1(C)C.
What is the InChIKey of 6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-3-methylpyrazine-2-carboxamide?
The InChIKey is IKWJASRDXFYASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O/c1-10-16(17(25)23-14-4-5-18(14,2)3)24-15(9-21-10)22-13-7-11(19)6-12(20)8-13/h6-9,14H,4-5H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-3-methylpyrazine-2-carboxamide?
6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-3-methylpyrazine-2-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-3-methylpyrazine-2-carboxamide is sourced from PubChem (CID 155352178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).