N-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide

C21H21N3O2 — CID 11709987

IUPACN-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)NCCO)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21N3O2/c1-14-3-7-16(8-4-14)19-20(17-9-5-15(2)6-10-17)24-18(13-23-19)21(26)22-11-12-25/h3-10,13,25H,11-12H2,1-2H3,(H,22,26)
InChIKeyWWVFDPMLRYCXRA-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.15
Rot. Bonds5

About N-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide

N-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 11709987) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide
PubChem CID11709987
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)NCCO)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21N3O2/c1-14-3-7-16(8-4-14)19-20(17-9-5-15(2)6-10-17)24-18(13-23-19)21(26)22-11-12-25/h3-10,13,25H,11-12H2,1-2H3,(H,22,26)
InChIKeyWWVFDPMLRYCXRA-UHFFFAOYSA-N
XLogP3.15
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide (CID 11709987) is N-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide is Cc1ccc(-c2ncc(C(=O)NCCO)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is WWVFDPMLRYCXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-3-7-16(8-4-14)19-20(17-9-5-15(2)6-10-17)24-18(13-23-19)21(26)22-11-12-25/h3-10,13,25H,11-12H2,1-2H3,(H,22,26).
What are the key properties of N-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide?
N-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5,6-bis(4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 11709987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).