N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide

C19H14N4O2 — CID 39501157

IUPACN-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)c3cnccn3)c2)c1
InChIInChI=1S/C19H14N4O2/c20-11-14-3-1-4-15(9-14)13-25-17-6-2-5-16(10-17)23-19(24)18-12-21-7-8-22-18/h1-10,12H,13H2,(H,23,24)
InChIKeySIMBLEYYKNRMOE-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.18
Rot. Bonds5

About N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide

N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide (PubChem CID 39501157) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
PubChem CID39501157
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC NameN-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)c3cnccn3)c2)c1
InChIInChI=1S/C19H14N4O2/c20-11-14-3-1-4-15(9-14)13-25-17-6-2-5-16(10-17)23-19(24)18-12-21-7-8-22-18/h1-10,12H,13H2,(H,23,24)
InChIKeySIMBLEYYKNRMOE-UHFFFAOYSA-N
XLogP3.18
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 87010307
6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 39001172
N-[4-[(3,4-dicyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
CID 174956323
4-bromo-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide
CID 60512198
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide
CID 39501116
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39500397
N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 39500262
4-bromo-N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 55689113
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907346
2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 39501061
3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide
CID 55962072
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide (CID 39501157) is N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide is N#Cc1cccc(COc2cccc(NC(=O)c3cnccn3)c2)c1.
What is the InChIKey of N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide?
The InChIKey is SIMBLEYYKNRMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c20-11-14-3-1-4-15(9-14)13-25-17-6-2-5-16(10-17)23-19(24)18-12-21-7-8-22-18/h1-10,12H,13H2,(H,23,24).
What are the key properties of N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide?
N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 39501157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).