N-(1-cyanocyclobutyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide

C21H23N3O2 — CID 51094657

IUPACN-(1-cyanocyclobutyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)N(C)C2(C#N)CCC2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C21H23N3O2/c1-15-10-18(20(25)24(3)21(14-22)7-5-8-21)11-16(2)19(15)26-13-17-6-4-9-23-12-17/h4,6,9-12H,5,7-8,13H2,1-3H3
InChIKeyISXHZNJTBHDKKD-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.80
Rot. Bonds5

About N-(1-cyanocyclobutyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide

N-(1-cyanocyclobutyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 51094657) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(1-cyanocyclobutyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(1-cyanocyclobutyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID51094657
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(1-cyanocyclobutyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)N(C)C2(C#N)CCC2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C21H23N3O2/c1-15-10-18(20(25)24(3)21(14-22)7-5-8-21)11-16(2)19(15)26-13-17-6-4-9-23-12-17/h4,6,9-12H,5,7-8,13H2,1-3H3
InChIKeyISXHZNJTBHDKKD-UHFFFAOYSA-N
XLogP3.80
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]-methylamino]-2-methylpropanoic acid
CID 120524284
N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 119656225
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613865
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde
CID 16770145
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 55691089
N-[[3-(cyanomethoxy)phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 86946683
[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112823978
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124696407
N-cyclopropyl-3,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39881162

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclobutyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-(1-cyanocyclobutyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide (CID 51094657) is N-(1-cyanocyclobutyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-(1-cyanocyclobutyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-(1-cyanocyclobutyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide is Cc1cc(C(=O)N(C)C2(C#N)CCC2)cc(C)c1OCc1cccnc1.
What is the InChIKey of N-(1-cyanocyclobutyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is ISXHZNJTBHDKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-10-18(20(25)24(3)21(14-22)7-5-8-21)11-16(2)19(15)26-13-17-6-4-9-23-12-17/h4,6,9-12H,5,7-8,13H2,1-3H3.
What are the key properties of N-(1-cyanocyclobutyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide?
N-(1-cyanocyclobutyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclobutyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 51094657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).