N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide

C20H14ClN3O2 — CID 58337642

IUPACN-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide
SMILESCc1ccc(Oc2cc(Cl)cc(NC(=O)c3cccc(C#N)c3)c2)cn1
InChIInChI=1S/C20H14ClN3O2/c1-13-5-6-18(12-23-13)26-19-9-16(21)8-17(10-19)24-20(25)15-4-2-3-14(7-15)11-22/h2-10,12H,1H3,(H,24,25)
InChIKeyBXJDIJWVKVUADH-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.96
Rot. Bonds4

About N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide

N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide (PubChem CID 58337642) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide
PubChem CID58337642
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC NameN-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide
SMILESCc1ccc(Oc2cc(Cl)cc(NC(=O)c3cccc(C#N)c3)c2)cn1
InChIInChI=1S/C20H14ClN3O2/c1-13-5-6-18(12-23-13)26-19-9-16(21)8-17(10-19)24-20(25)15-4-2-3-14(7-15)11-22/h2-10,12H,1H3,(H,24,25)
InChIKeyBXJDIJWVKVUADH-UHFFFAOYSA-N
XLogP4.96
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide?
The IUPAC name of N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide (CID 58337642) is N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide.
What is the SMILES notation for N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide?
The canonical SMILES for N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide is Cc1ccc(Oc2cc(Cl)cc(NC(=O)c3cccc(C#N)c3)c2)cn1.
What is the InChIKey of N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide?
The InChIKey is BXJDIJWVKVUADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c1-13-5-6-18(12-23-13)26-19-9-16(21)8-17(10-19)24-20(25)15-4-2-3-14(7-15)11-22/h2-10,12H,1H3,(H,24,25).
What are the key properties of N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide?
N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide has a molecular weight of 363.80 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide is sourced from PubChem (CID 58337642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).