N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide

C13H17N3O — CID 115268044

IUPACN-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide
SMILESCCC(CC)C(=O)N(C)c1ccc(C#N)cn1
InChIInChI=1S/C13H17N3O/c1-4-11(5-2)13(17)16(3)12-7-6-10(8-14)9-15-12/h6-7,9,11H,4-5H2,1-3H3
InChIKeyLESHBIGAWGELOK-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.35
Rot. Bonds4

About N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide

N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide (PubChem CID 115268044) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide
PubChem CID115268044
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide
SMILESCCC(CC)C(=O)N(C)c1ccc(C#N)cn1
InChIInChI=1S/C13H17N3O/c1-4-11(5-2)13(17)16(3)12-7-6-10(8-14)9-15-12/h6-7,9,11H,4-5H2,1-3H3
InChIKeyLESHBIGAWGELOK-UHFFFAOYSA-N
XLogP2.35
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyano-2-pyridinyl)-N,2,2-trimethylpropanamide
CID 115268043
N-(5-cyano-2-pyridinyl)-4-ethyl-N-methylbenzamide
CID 115273533
N-(5-cyano-2-pyridinyl)-N-methylpyridine-4-carboxamide
CID 115273544
N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115268063
N-(5-cyano-2-pyridinyl)-3-cyclopentyl-N-methylpropanamide
CID 115273575
6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile
CID 55028427
6-[benzyl(methyl)amino]pyridine-3-carbonitrile
CID 24690148
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile
CID 28799351
6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 47135740
2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid
CID 63064843
3-[(5-cyano-2-pyridinyl)-propan-2-ylamino]propanoic acid
CID 54925557
6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile
CID 115268088

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide (CID 115268044) is N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide is CCC(CC)C(=O)N(C)c1ccc(C#N)cn1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide?
The InChIKey is LESHBIGAWGELOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-11(5-2)13(17)16(3)12-7-6-10(8-14)9-15-12/h6-7,9,11H,4-5H2,1-3H3.
What are the key properties of N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide?
N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide has a molecular weight of 231.30 g/mol, XLogP of 2.35, 4 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)-2-ethyl-N-methylbutanamide is sourced from PubChem (CID 115268044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).