N-cyclohexyl-5,6-bis(4-methoxyphenyl)pyrazine-2-carboxamide

C25H27N3O3 — CID 10216436

IUPACN-cyclohexyl-5,6-bis(4-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NC3CCCCC3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H27N3O3/c1-30-20-12-8-17(9-13-20)23-24(18-10-14-21(31-2)15-11-18)28-22(16-26-23)25(29)27-19-6-4-3-5-7-19/h8-16,19H,3-7H2,1-2H3,(H,27,29)
InChIKeyHOAIFTWDCHXJRY-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.89
Rot. Bonds6

About N-cyclohexyl-5,6-bis(4-methoxyphenyl)pyrazine-2-carboxamide

N-cyclohexyl-5,6-bis(4-methoxyphenyl)pyrazine-2-carboxamide (PubChem CID 10216436) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-cyclohexyl-5,6-bis(4-methoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5,6-bis(4-methoxyphenyl)pyrazine-2-carboxamide
PubChem CID10216436
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-cyclohexyl-5,6-bis(4-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NC3CCCCC3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H27N3O3/c1-30-20-12-8-17(9-13-20)23-24(18-10-14-21(31-2)15-11-18)28-22(16-26-23)25(29)27-19-6-4-3-5-7-19/h8-16,19H,3-7H2,1-2H3,(H,27,29)
InChIKeyHOAIFTWDCHXJRY-UHFFFAOYSA-N
XLogP4.89
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5,6-bis(4-methoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-cyclohexyl-5,6-bis(4-methoxyphenyl)pyrazine-2-carboxamide (CID 10216436) is N-cyclohexyl-5,6-bis(4-methoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5,6-bis(4-methoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5,6-bis(4-methoxyphenyl)pyrazine-2-carboxamide is COc1ccc(-c2ncc(C(=O)NC3CCCCC3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-cyclohexyl-5,6-bis(4-methoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is HOAIFTWDCHXJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-30-20-12-8-17(9-13-20)23-24(18-10-14-21(31-2)15-11-18)28-22(16-26-23)25(29)27-19-6-4-3-5-7-19/h8-16,19H,3-7H2,1-2H3,(H,27,29).
What are the key properties of N-cyclohexyl-5,6-bis(4-methoxyphenyl)pyrazine-2-carboxamide?
N-cyclohexyl-5,6-bis(4-methoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5,6-bis(4-methoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 10216436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).