N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzamide

C21H17N3O2 — CID 714979

IUPACN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzamide
SMILESCc1cc(C)c(C#N)c(Oc2cccc(NC(=O)c3ccccc3)c2)n1
InChIInChI=1S/C21H17N3O2/c1-14-11-15(2)23-21(19(14)13-22)26-18-10-6-9-17(12-18)24-20(25)16-7-4-3-5-8-16/h3-12H,1-2H3,(H,24,25)
InChIKeyCXKHRSFXWABVFU-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.61
Rot. Bonds4

About N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzamide

N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzamide (PubChem CID 714979) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzamide
PubChem CID714979
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzamide
SMILESCc1cc(C)c(C#N)c(Oc2cccc(NC(=O)c3ccccc3)c2)n1
InChIInChI=1S/C21H17N3O2/c1-14-11-15(2)23-21(19(14)13-22)26-18-10-6-9-17(12-18)24-20(25)16-7-4-3-5-8-16/h3-12H,1-2H3,(H,24,25)
InChIKeyCXKHRSFXWABVFU-UHFFFAOYSA-N
XLogP4.61
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]propanamide
CID 714514
2-chloro-N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide
CID 714287
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337716
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 61175739
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
3-methyl-N-(3-phenoxyphenyl)-1,5-naphthyridine-2-carboxamide
CID 150166666
N-[3-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 977194
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-4-fluorobenzoic acid
CID 107016460

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzamide?
The IUPAC name of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzamide (CID 714979) is N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzamide.
What is the SMILES notation for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzamide?
The canonical SMILES for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzamide is Cc1cc(C)c(C#N)c(Oc2cccc(NC(=O)c3ccccc3)c2)n1.
What is the InChIKey of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzamide?
The InChIKey is CXKHRSFXWABVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-14-11-15(2)23-21(19(14)13-22)26-18-10-6-9-17(12-18)24-20(25)16-7-4-3-5-8-16/h3-12H,1-2H3,(H,24,25).
What are the key properties of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzamide?
N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzamide has a molecular weight of 343.39 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzamide is sourced from PubChem (CID 714979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).