N-(5-cyano-2-pyridinyl)-4-ethyl-N-methylbenzamide

C16H15N3O — CID 115273533

IUPACN-(5-cyano-2-pyridinyl)-4-ethyl-N-methylbenzamide
SMILESCCc1ccc(C(=O)N(C)c2ccc(C#N)cn2)cc1
InChIInChI=1S/C16H15N3O/c1-3-12-4-7-14(8-5-12)16(20)19(2)15-9-6-13(10-17)11-18-15/h4-9,11H,3H2,1-2H3
InChIKeyQRLOUCSUQMGNCM-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.79
Rot. Bonds3

About N-(5-cyano-2-pyridinyl)-4-ethyl-N-methylbenzamide

N-(5-cyano-2-pyridinyl)-4-ethyl-N-methylbenzamide (PubChem CID 115273533) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-4-ethyl-N-methylbenzamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-4-ethyl-N-methylbenzamide
PubChem CID115273533
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-(5-cyano-2-pyridinyl)-4-ethyl-N-methylbenzamide
SMILESCCc1ccc(C(=O)N(C)c2ccc(C#N)cn2)cc1
InChIInChI=1S/C16H15N3O/c1-3-12-4-7-14(8-5-12)16(20)19(2)15-9-6-13(10-17)11-18-15/h4-9,11H,3H2,1-2H3
InChIKeyQRLOUCSUQMGNCM-UHFFFAOYSA-N
XLogP2.79
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyano-2-pyridinyl)-N-methylpyridine-4-carboxamide
CID 115273544
N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide
CID 115268044
N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115268063
N-(5-cyano-2-pyridinyl)-N,2,2-trimethylpropanamide
CID 115268043
N-(5-bromo-2-pyridinyl)-4-ethyl-N-(4-ethylbenzoyl)benzamide
CID 17358116
N-(5-cyano-2-pyridinyl)-3-cyclopentyl-N-methylpropanamide
CID 115273575
3-(5-amino-6-chloro-3-pyridinyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 90157076
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile
CID 28799351
6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 47135740
6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide
CID 66463352
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416
6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile
CID 115268088

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-4-ethyl-N-methylbenzamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-4-ethyl-N-methylbenzamide (CID 115273533) is N-(5-cyano-2-pyridinyl)-4-ethyl-N-methylbenzamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-4-ethyl-N-methylbenzamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-4-ethyl-N-methylbenzamide is CCc1ccc(C(=O)N(C)c2ccc(C#N)cn2)cc1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-4-ethyl-N-methylbenzamide?
The InChIKey is QRLOUCSUQMGNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-3-12-4-7-14(8-5-12)16(20)19(2)15-9-6-13(10-17)11-18-15/h4-9,11H,3H2,1-2H3.
What are the key properties of N-(5-cyano-2-pyridinyl)-4-ethyl-N-methylbenzamide?
N-(5-cyano-2-pyridinyl)-4-ethyl-N-methylbenzamide has a molecular weight of 265.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-4-ethyl-N-methylbenzamide is sourced from PubChem (CID 115273533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).