3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide

C17H11N5O2 — CID 58349136

IUPAC3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2cncc(Oc3cncnc3)c2)c1
InChIInChI=1S/C17H11N5O2/c18-6-12-2-1-3-13(4-12)17(23)22-14-5-15(8-19-7-14)24-16-9-20-11-21-10-16/h1-5,7-11H,(H,22,23)
InChIKeyLILDOVBMXQSOBD-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.79
Rot. Bonds4

About 3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide

3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide (PubChem CID 58349136) has the molecular formula C17H11N5O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
PubChem CID58349136
Molecular FormulaC17H11N5O2
Molecular Weight317.31 g/mol
Exact Mass317.09
IUPAC Name3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2cncc(Oc3cncnc3)c2)c1
InChIInChI=1S/C17H11N5O2/c18-6-12-2-1-3-13(4-12)17(23)22-14-5-15(8-19-7-14)24-16-9-20-11-21-10-16/h1-5,7-11H,(H,22,23)
InChIKeyLILDOVBMXQSOBD-UHFFFAOYSA-N
XLogP2.79
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337716
3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253
3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane
CID 145349636
3-cyano-N-(5-phenyl-3-pyridinyl)benzamide
CID 110713713
3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 58337556
3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide
CID 58349175
5-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-3-carboxamide
CID 58349126
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-3-carboxamide
CID 58349141
6-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide
CID 58349107
N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide
CID 58337442
N-[3-[(3-chlorobenzoyl)amino]-5-pyrimidin-5-yloxyphenyl]-3-[(3-chloro-5-pyrimidin-5-yloxyphenyl)carbamoyl]benzonitrilium
CID 123530690

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide?
The IUPAC name of 3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide (CID 58349136) is 3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide.
What is the SMILES notation for 3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide?
The canonical SMILES for 3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide is N#Cc1cccc(C(=O)Nc2cncc(Oc3cncnc3)c2)c1.
What is the InChIKey of 3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide?
The InChIKey is LILDOVBMXQSOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O2/c18-6-12-2-1-3-13(4-12)17(23)22-14-5-15(8-19-7-14)24-16-9-20-11-21-10-16/h1-5,7-11H,(H,22,23).
What are the key properties of 3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide?
3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide has a molecular weight of 317.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide is sourced from PubChem (CID 58349136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).