N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide

C25H29N3O2 — CID 11429594

IUPACN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)N[C@H](CO)CC(C)C)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H29N3O2/c1-16(2)13-21(15-29)27-25(30)22-14-26-23(19-9-5-17(3)6-10-19)24(28-22)20-11-7-18(4)8-12-20/h5-12,14,16,21,29H,13,15H2,1-4H3,(H,27,30)/t21-/m0/s1
InChIKeyVHPXHLMBOHUIJE-NRFANRHFSA-N
MW403.53 g/mol
LogP4.56
Rot. Bonds7

About N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 11429594) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide
PubChem CID11429594
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)N[C@H](CO)CC(C)C)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H29N3O2/c1-16(2)13-21(15-29)27-25(30)22-14-26-23(19-9-5-17(3)6-10-19)24(28-22)20-11-7-18(4)8-12-20/h5-12,14,16,21,29H,13,15H2,1-4H3,(H,27,30)/t21-/m0/s1
InChIKeyVHPXHLMBOHUIJE-NRFANRHFSA-N
XLogP4.56
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide (CID 11429594) is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide is Cc1ccc(-c2ncc(C(=O)N[C@H](CO)CC(C)C)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is VHPXHLMBOHUIJE-NRFANRHFSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-16(2)13-21(15-29)27-25(30)22-14-26-23(19-9-5-17(3)6-10-19)24(28-22)20-11-7-18(4)8-12-20/h5-12,14,16,21,29H,13,15H2,1-4H3,(H,27,30)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide?
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 11429594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).