N-tert-butyl-2-[1-(4-cyano-6-methyl-2-pyridinyl)ethyl]benzamide

C20H23N3O — CID 166444487

IUPACN-tert-butyl-2-[1-(4-cyano-6-methyl-2-pyridinyl)ethyl]benzamide
SMILESCc1cc(C#N)cc(C(C)c2ccccc2C(=O)NC(C)(C)C)n1
InChIInChI=1S/C20H23N3O/c1-13-10-15(12-21)11-18(22-13)14(2)16-8-6-7-9-17(16)19(24)23-20(3,4)5/h6-11,14H,1-5H3,(H,23,24)
InChIKeyNQXKPEOZFKOLKE-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.94
Rot. Bonds3

About N-tert-butyl-2-[1-(4-cyano-6-methyl-2-pyridinyl)ethyl]benzamide

N-tert-butyl-2-[1-(4-cyano-6-methyl-2-pyridinyl)ethyl]benzamide (PubChem CID 166444487) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(4-cyano-6-methyl-2-pyridinyl)ethyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-(4-cyano-6-methyl-2-pyridinyl)ethyl]benzamide
PubChem CID166444487
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-tert-butyl-2-[1-(4-cyano-6-methyl-2-pyridinyl)ethyl]benzamide
SMILESCc1cc(C#N)cc(C(C)c2ccccc2C(=O)NC(C)(C)C)n1
InChIInChI=1S/C20H23N3O/c1-13-10-15(12-21)11-18(22-13)14(2)16-8-6-7-9-17(16)19(24)23-20(3,4)5/h6-11,14H,1-5H3,(H,23,24)
InChIKeyNQXKPEOZFKOLKE-UHFFFAOYSA-N
XLogP3.94
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(tert-butylcarbamoyl)phenyl] thiocyanate
CID 88721437
2-amino-N-tert-butyl-5-cyano-3-methylbenzamide
CID 25156716
2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770295
4-cyano-6-methyl-N-(2-methylphenyl)pyridine-2-carboxamide
CID 68787568
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
N-tert-butyl-2-hydroxybenzamide
CID 139189948
4-cyano-6-methyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 46899355
N-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide
CID 54904478
N-tert-butyl-2-methylsulfanylbenzamide
CID 967733
N-(3-cyanophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100779207
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-sulfanylmethyl]benzoic acid
CID 22298910
2-(bromomethyl)-N-tert-butylbenzamide
CID 82110404

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-(4-cyano-6-methyl-2-pyridinyl)ethyl]benzamide?
The IUPAC name of N-tert-butyl-2-[1-(4-cyano-6-methyl-2-pyridinyl)ethyl]benzamide (CID 166444487) is N-tert-butyl-2-[1-(4-cyano-6-methyl-2-pyridinyl)ethyl]benzamide.
What is the SMILES notation for N-tert-butyl-2-[1-(4-cyano-6-methyl-2-pyridinyl)ethyl]benzamide?
The canonical SMILES for N-tert-butyl-2-[1-(4-cyano-6-methyl-2-pyridinyl)ethyl]benzamide is Cc1cc(C#N)cc(C(C)c2ccccc2C(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-[1-(4-cyano-6-methyl-2-pyridinyl)ethyl]benzamide?
The InChIKey is NQXKPEOZFKOLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-13-10-15(12-21)11-18(22-13)14(2)16-8-6-7-9-17(16)19(24)23-20(3,4)5/h6-11,14H,1-5H3,(H,23,24).
What are the key properties of N-tert-butyl-2-[1-(4-cyano-6-methyl-2-pyridinyl)ethyl]benzamide?
N-tert-butyl-2-[1-(4-cyano-6-methyl-2-pyridinyl)ethyl]benzamide has a molecular weight of 321.42 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-(4-cyano-6-methyl-2-pyridinyl)ethyl]benzamide is sourced from PubChem (CID 166444487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).