N-(3,3-diphenylpropyl)pyrazine-2-carboxamide

C20H19N3O — CID 2166688

IUPACN-(3,3-diphenylpropyl)pyrazine-2-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1cnccn1
InChIInChI=1S/C20H19N3O/c24-20(19-15-21-13-14-22-19)23-12-11-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-15,18H,11-12H2,(H,23,24)
InChIKeyXAOIQGYMSCDUSP-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.43
Rot. Bonds6

About N-(3,3-diphenylpropyl)pyrazine-2-carboxamide

N-(3,3-diphenylpropyl)pyrazine-2-carboxamide (PubChem CID 2166688) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)pyrazine-2-carboxamide
PubChem CID2166688
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-(3,3-diphenylpropyl)pyrazine-2-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1cnccn1
InChIInChI=1S/C20H19N3O/c24-20(19-15-21-13-14-22-19)23-12-11-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-15,18H,11-12H2,(H,23,24)
InChIKeyXAOIQGYMSCDUSP-UHFFFAOYSA-N
XLogP3.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)pyrazine-2-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)pyrazine-2-carboxamide (CID 2166688) is N-(3,3-diphenylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)pyrazine-2-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1cnccn1.
What is the InChIKey of N-(3,3-diphenylpropyl)pyrazine-2-carboxamide?
The InChIKey is XAOIQGYMSCDUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(19-15-21-13-14-22-19)23-12-11-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-15,18H,11-12H2,(H,23,24).
What are the key properties of N-(3,3-diphenylpropyl)pyrazine-2-carboxamide?
N-(3,3-diphenylpropyl)pyrazine-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 2166688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).