N-[4-[(3,4-dicyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide

C20H13N5O2 — CID 174956323

IUPACN-[4-[(3,4-dicyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
SMILESN#Cc1ccc(COc2ccc(NC(=O)c3cnccn3)cc2)cc1C#N
InChIInChI=1S/C20H13N5O2/c21-10-15-2-1-14(9-16(15)11-22)13-27-18-5-3-17(4-6-18)25-20(26)19-12-23-7-8-24-19/h1-9,12H,13H2,(H,25,26)
InChIKeyJFXYBPBBLZQTCF-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.05
Rot. Bonds5

About N-[4-[(3,4-dicyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide

N-[4-[(3,4-dicyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide (PubChem CID 174956323) has the molecular formula C20H13N5O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-[4-[(3,4-dicyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,4-dicyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
PubChem CID174956323
Molecular FormulaC20H13N5O2
Molecular Weight355.36 g/mol
Exact Mass355.11
IUPAC NameN-[4-[(3,4-dicyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
SMILESN#Cc1ccc(COc2ccc(NC(=O)c3cnccn3)cc2)cc1C#N
InChIInChI=1S/C20H13N5O2/c21-10-15-2-1-14(9-16(15)11-22)13-27-18-5-3-17(4-6-18)25-20(26)19-12-23-7-8-24-19/h1-9,12H,13H2,(H,25,26)
InChIKeyJFXYBPBBLZQTCF-UHFFFAOYSA-N
XLogP3.05
TPSA111.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
CID 39501157
4-tert-butyl-N-[4-(pyrazin-2-ylmethoxy)phenyl]pyridine-2-carboxamide
CID 166359769
N-(4-acetylphenyl)pyrazine-2-carboxamide
CID 803592
N-[4-(sulfamoylmethyl)phenyl]pyrazine-2-carboxamide
CID 60715551
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 65433519
N-(4-sulfanylphenyl)pyrazine-2-carboxamide
CID 137223268
N-(4-aminophenyl)pyrazine-2-carboxamide
CID 16775114
N-(3,4-diethoxyphenyl)pyrazine-2-carboxamide
CID 4882744
N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide
CID 39231127
N-[4-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 30874024
N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide
CID 110471356
N-(3,4-dibromophenyl)pyrazine-2-carboxamide
CID 1221988

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dicyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-[(3,4-dicyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide (CID 174956323) is N-[4-[(3,4-dicyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[(3,4-dicyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-[(3,4-dicyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide is N#Cc1ccc(COc2ccc(NC(=O)c3cnccn3)cc2)cc1C#N.
What is the InChIKey of N-[4-[(3,4-dicyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide?
The InChIKey is JFXYBPBBLZQTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O2/c21-10-15-2-1-14(9-16(15)11-22)13-27-18-5-3-17(4-6-18)25-20(26)19-12-23-7-8-24-19/h1-9,12H,13H2,(H,25,26).
What are the key properties of N-[4-[(3,4-dicyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide?
N-[4-[(3,4-dicyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dicyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 174956323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).