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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Related Compounds

3-cyano-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide
CID 58349077
3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337716
3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 58337556
N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;bis(N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide);N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-5-ethynyl-2-fluorobenzamide;3-ethynyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide;methane
CID 161246066
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
CID 58349136
3-cyano-N-(4-propoxyphenyl)benzamide
CID 62328524
3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide
CID 58349175
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
N-[3-[(3-chlorobenzoyl)amino]-5-pyrimidin-5-yloxyphenyl]-3-[(3-chloro-5-pyrimidin-5-yloxyphenyl)carbamoyl]benzonitrilium
CID 123530690
3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide
CID 43069880
3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253

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).