3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide

C19H13N3O2 — CID 58337716

IUPAC3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1
InChIInChI=1S/C19H13N3O2/c20-12-14-4-1-5-15(10-14)19(23)22-16-6-2-7-17(11-16)24-18-8-3-9-21-13-18/h1-11,13H,(H,22,23)
InChIKeyIHLZVHVEAWCGFR-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.00
Rot. Bonds4

About 3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide

3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide (PubChem CID 58337716) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide
PubChem CID58337716
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1
InChIInChI=1S/C19H13N3O2/c20-12-14-4-1-5-15(10-14)19(23)22-16-6-2-7-17(11-16)24-18-8-3-9-21-13-18/h1-11,13H,(H,22,23)
InChIKeyIHLZVHVEAWCGFR-UHFFFAOYSA-N
XLogP4.00
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide
CID 58349175
3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 58337556
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
CID 58349136
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337430
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide
CID 58337442
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide
CID 58337642
3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043187

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide?
The IUPAC name of 3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide (CID 58337716) is 3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide.
What is the SMILES notation for 3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide?
The canonical SMILES for 3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide is N#Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.
What is the InChIKey of 3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide?
The InChIKey is IHLZVHVEAWCGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c20-12-14-4-1-5-15(10-14)19(23)22-16-6-2-7-17(11-16)24-18-8-3-9-21-13-18/h1-11,13H,(H,22,23).
What are the key properties of 3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide?
3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide has a molecular weight of 315.33 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide is sourced from PubChem (CID 58337716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).