N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide

C24H27N3O2 — CID 11682550

IUPACN-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)N[C@@H](CO)C(C)C)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H27N3O2/c1-15(2)21(14-28)27-24(29)20-13-25-22(18-9-5-16(3)6-10-18)23(26-20)19-11-7-17(4)8-12-19/h5-13,15,21,28H,14H2,1-4H3,(H,27,29)/t21-/m0/s1
InChIKeySZQXUAARXDAMOZ-NRFANRHFSA-N
MW389.50 g/mol
LogP4.17
Rot. Bonds6

About N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide

N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 11682550) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide
PubChem CID11682550
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)N[C@@H](CO)C(C)C)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H27N3O2/c1-15(2)21(14-28)27-24(29)20-13-25-22(18-9-5-16(3)6-10-18)23(26-20)19-11-7-17(4)8-12-19/h5-13,15,21,28H,14H2,1-4H3,(H,27,29)/t21-/m0/s1
InChIKeySZQXUAARXDAMOZ-NRFANRHFSA-N
XLogP4.17
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide (CID 11682550) is N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide is Cc1ccc(-c2ncc(C(=O)N[C@@H](CO)C(C)C)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is SZQXUAARXDAMOZ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-15(2)21(14-28)27-24(29)20-13-25-22(18-9-5-16(3)6-10-18)23(26-20)19-11-7-17(4)8-12-19/h5-13,15,21,28H,14H2,1-4H3,(H,27,29)/t21-/m0/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide?
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 11682550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).