N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide

C25H28N4O2 — CID 11640292

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)N[C@@H](CC(C)C)C(N)=O)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H28N4O2/c1-15(2)13-20(24(26)30)29-25(31)21-14-27-22(18-9-5-16(3)6-10-18)23(28-21)19-11-7-17(4)8-12-19/h5-12,14-15,20H,13H2,1-4H3,(H2,26,30)(H,29,31)/t20-/m0/s1
InChIKeyCEOURMOBIKELEG-FQEVSTJZSA-N
MW416.53 g/mol
LogP4.06
Rot. Bonds7

About N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 11640292) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide
PubChem CID11640292
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)N[C@@H](CC(C)C)C(N)=O)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H28N4O2/c1-15(2)13-20(24(26)30)29-25(31)21-14-27-22(18-9-5-16(3)6-10-18)23(28-21)19-11-7-17(4)8-12-19/h5-12,14-15,20H,13H2,1-4H3,(H2,26,30)(H,29,31)/t20-/m0/s1
InChIKeyCEOURMOBIKELEG-FQEVSTJZSA-N
XLogP4.06
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide (CID 11640292) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide is Cc1ccc(-c2ncc(C(=O)N[C@@H](CC(C)C)C(N)=O)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is CEOURMOBIKELEG-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-15(2)13-20(24(26)30)29-25(31)21-14-27-22(18-9-5-16(3)6-10-18)23(28-21)19-11-7-17(4)8-12-19/h5-12,14-15,20H,13H2,1-4H3,(H2,26,30)(H,29,31)/t20-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide?
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 11640292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).