5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide

C14H19N3O — CID 65043816

IUPAC5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
SMILESCCC(CC)(CC)NC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C14H19N3O/c1-4-14(5-2,6-3)17-13(18)12-8-7-11(9-15)10-16-12/h7-8,10H,4-6H2,1-3H3,(H,17,18)
InChIKeyUIJAKGBAOAUYCI-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.65
Rot. Bonds5

About 5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide

5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide (PubChem CID 65043816) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
PubChem CID65043816
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
SMILESCCC(CC)(CC)NC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C14H19N3O/c1-4-14(5-2,6-3)17-13(18)12-8-7-11(9-15)10-16-12/h7-8,10H,4-6H2,1-3H3,(H,17,18)
InChIKeyUIJAKGBAOAUYCI-UHFFFAOYSA-N
XLogP2.65
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamoyl-2-methylpentan-3-yl)-5-cyanopyridine-2-carboxamide
CID 86786687
3-[(5-cyanopyridine-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261170
N-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide
CID 115310434
N-(3-ethylpentan-3-yl)-5-hydrazinylpyridine-2-carboxamide
CID 104642862
5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
CID 113435003
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
N-but-2-ynyl-5-cyanopyridine-2-carboxamide
CID 115866853
5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide
CID 103868637
2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid
CID 55228672
N-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide
CID 65193453
N-[3-(chloromethyl)pentan-3-yl]-4-cyanobenzamide
CID 113273279
5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 63719308

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide (CID 65043816) is 5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide is CCC(CC)(CC)NC(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide?
The InChIKey is UIJAKGBAOAUYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-14(5-2,6-3)17-13(18)12-8-7-11(9-15)10-16-12/h7-8,10H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide?
5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 65043816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).