3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide

C18H12N4O2 — CID 58349175

IUPAC3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccnc(Oc3cccnc3)c2)c1
InChIInChI=1S/C18H12N4O2/c19-11-13-3-1-4-14(9-13)18(23)22-15-6-8-21-17(10-15)24-16-5-2-7-20-12-16/h1-10,12H,(H,21,22,23)
InChIKeyWKDGTQVIDPACQY-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.39
Rot. Bonds4

About 3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide

3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide (PubChem CID 58349175) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide
PubChem CID58349175
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC Name3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccnc(Oc3cccnc3)c2)c1
InChIInChI=1S/C18H12N4O2/c19-11-13-3-1-4-14(9-13)18(23)22-15-6-8-21-17(10-15)24-16-5-2-7-20-12-16/h1-10,12H,(H,21,22,23)
InChIKeyWKDGTQVIDPACQY-UHFFFAOYSA-N
XLogP3.39
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337716
3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 58337556
3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
CID 58349136
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
3-cyano-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide
CID 58349077
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide
CID 58337642
3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide
CID 43069880
3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043187
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide?
The IUPAC name of 3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide (CID 58349175) is 3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide?
The canonical SMILES for 3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide is N#Cc1cccc(C(=O)Nc2ccnc(Oc3cccnc3)c2)c1.
What is the InChIKey of 3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide?
The InChIKey is WKDGTQVIDPACQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c19-11-13-3-1-4-14(9-13)18(23)22-15-6-8-21-17(10-15)24-16-5-2-7-20-12-16/h1-10,12H,(H,21,22,23).
What are the key properties of 3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide?
3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide has a molecular weight of 316.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide is sourced from PubChem (CID 58349175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).