N-(2,2-diphenylethyl)-5-methylpyrazine-2-carboxamide

C20H19N3O — CID 1448541

IUPACN-(2,2-diphenylethyl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C20H19N3O/c1-15-12-22-19(14-21-15)20(24)23-13-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-12,14,18H,13H2,1H3,(H,23,24)
InChIKeyNHQJPCSJVQLQDC-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.35
Rot. Bonds5

About N-(2,2-diphenylethyl)-5-methylpyrazine-2-carboxamide

N-(2,2-diphenylethyl)-5-methylpyrazine-2-carboxamide (PubChem CID 1448541) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-5-methylpyrazine-2-carboxamide
PubChem CID1448541
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-(2,2-diphenylethyl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C20H19N3O/c1-15-12-22-19(14-21-15)20(24)23-13-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-12,14,18H,13H2,1H3,(H,23,24)
InChIKeyNHQJPCSJVQLQDC-UHFFFAOYSA-N
XLogP3.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-(2,2-diphenylethyl)-5-methylpyrazine-2-carboxamide (CID 1448541) is N-(2,2-diphenylethyl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(2,2-diphenylethyl)-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NCC(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of N-(2,2-diphenylethyl)-5-methylpyrazine-2-carboxamide?
The InChIKey is NHQJPCSJVQLQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15-12-22-19(14-21-15)20(24)23-13-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-12,14,18H,13H2,1H3,(H,23,24).
What are the key properties of N-(2,2-diphenylethyl)-5-methylpyrazine-2-carboxamide?
N-(2,2-diphenylethyl)-5-methylpyrazine-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 1448541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).