N-(1-hydroxypentan-2-yl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide

C24H27N3O2 — CID 11618026

IUPACN-(1-hydroxypentan-2-yl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide
SMILESCCCC(CO)NC(=O)c1cnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1
InChIInChI=1S/C24H27N3O2/c1-4-5-20(15-28)26-24(29)21-14-25-22(18-10-6-16(2)7-11-18)23(27-21)19-12-8-17(3)9-13-19/h6-14,20,28H,4-5,15H2,1-3H3,(H,26,29)
InChIKeyIIWGHQKHUOSNND-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.32
Rot. Bonds7

About N-(1-hydroxypentan-2-yl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide

N-(1-hydroxypentan-2-yl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 11618026) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(1-hydroxypentan-2-yl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-2-yl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide
PubChem CID11618026
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-(1-hydroxypentan-2-yl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide
SMILESCCCC(CO)NC(=O)c1cnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1
InChIInChI=1S/C24H27N3O2/c1-4-5-20(15-28)26-24(29)21-14-25-22(18-10-6-16(2)7-11-18)23(27-21)19-12-8-17(3)9-13-19/h6-14,20,28H,4-5,15H2,1-3H3,(H,26,29)
InChIKeyIIWGHQKHUOSNND-UHFFFAOYSA-N
XLogP4.32
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-2-yl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(1-hydroxypentan-2-yl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide (CID 11618026) is N-(1-hydroxypentan-2-yl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1-hydroxypentan-2-yl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(1-hydroxypentan-2-yl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide is CCCC(CO)NC(=O)c1cnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1.
What is the InChIKey of N-(1-hydroxypentan-2-yl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is IIWGHQKHUOSNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-4-5-20(15-28)26-24(29)21-14-25-22(18-10-6-16(2)7-11-18)23(27-21)19-12-8-17(3)9-13-19/h6-14,20,28H,4-5,15H2,1-3H3,(H,26,29).
What are the key properties of N-(1-hydroxypentan-2-yl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide?
N-(1-hydroxypentan-2-yl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-2-yl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 11618026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).