N-[4-[(3-cyano-2-pyridinyl)oxy]cyclohexyl]-2-methylbenzamide

C20H21N3O2 — CID 136534296

IUPACN-[4-[(3-cyano-2-pyridinyl)oxy]cyclohexyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCC(Oc2ncccc2C#N)CC1
InChIInChI=1S/C20H21N3O2/c1-14-5-2-3-7-18(14)19(24)23-16-8-10-17(11-9-16)25-20-15(13-21)6-4-12-22-20/h2-7,12,16-17H,8-11H2,1H3,(H,23,24)
InChIKeyYNEXTOKNAWPXTJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.38
Rot. Bonds4

About N-[4-[(3-cyano-2-pyridinyl)oxy]cyclohexyl]-2-methylbenzamide

N-[4-[(3-cyano-2-pyridinyl)oxy]cyclohexyl]-2-methylbenzamide (PubChem CID 136534296) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[4-[(3-cyano-2-pyridinyl)oxy]cyclohexyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(3-cyano-2-pyridinyl)oxy]cyclohexyl]-2-methylbenzamide
PubChem CID136534296
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[4-[(3-cyano-2-pyridinyl)oxy]cyclohexyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCC(Oc2ncccc2C#N)CC1
InChIInChI=1S/C20H21N3O2/c1-14-5-2-3-7-18(14)19(24)23-16-8-10-17(11-9-16)25-20-15(13-21)6-4-12-22-20/h2-7,12,16-17H,8-11H2,1H3,(H,23,24)
InChIKeyYNEXTOKNAWPXTJ-UHFFFAOYSA-N
XLogP3.38
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249084
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile
CID 62807946
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide
CID 91626142
ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate
CID 122249189
N-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide
CID 70845921
N-(4-aminocyclohexyl)-2-methylbenzamide
CID 43653114
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide
CID 91626145
ethyl 2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoacetate
CID 122249076
3-[(3-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide
CID 122249293
2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633334
2-methyl-N-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]benzamide
CID 133442168

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]cyclohexyl]-2-methylbenzamide?
The IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]cyclohexyl]-2-methylbenzamide (CID 136534296) is N-[4-[(3-cyano-2-pyridinyl)oxy]cyclohexyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[(3-cyano-2-pyridinyl)oxy]cyclohexyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[(3-cyano-2-pyridinyl)oxy]cyclohexyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCC(Oc2ncccc2C#N)CC1.
What is the InChIKey of N-[4-[(3-cyano-2-pyridinyl)oxy]cyclohexyl]-2-methylbenzamide?
The InChIKey is YNEXTOKNAWPXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-5-2-3-7-18(14)19(24)23-16-8-10-17(11-9-16)25-20-15(13-21)6-4-12-22-20/h2-7,12,16-17H,8-11H2,1H3,(H,23,24).
What are the key properties of N-[4-[(3-cyano-2-pyridinyl)oxy]cyclohexyl]-2-methylbenzamide?
N-[4-[(3-cyano-2-pyridinyl)oxy]cyclohexyl]-2-methylbenzamide has a molecular weight of 335.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyano-2-pyridinyl)oxy]cyclohexyl]-2-methylbenzamide is sourced from PubChem (CID 136534296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).