3-[(5-cyanopyridine-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid

C14H17N3O3 — CID 65261170

IUPAC3-[(5-cyanopyridine-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)c1ccc(C#N)cn1)C(C)(C)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-13(2,12(19)20)14(3,4)17-11(18)10-6-5-9(7-15)8-16-10/h5-6,8H,1-4H3,(H,17,18)(H,19,20)
InChIKeyGZOCCBRAUIYGDG-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.57
Rot. Bonds4

About 3-[(5-cyanopyridine-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid

3-[(5-cyanopyridine-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65261170) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[(5-cyanopyridine-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[(5-cyanopyridine-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid
PubChem CID65261170
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-[(5-cyanopyridine-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)c1ccc(C#N)cn1)C(C)(C)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-13(2,12(19)20)14(3,4)17-11(18)10-6-5-9(7-15)8-16-10/h5-6,8H,1-4H3,(H,17,18)(H,19,20)
InChIKeyGZOCCBRAUIYGDG-UHFFFAOYSA-N
XLogP1.57
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 65043816
5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide
CID 103868637
N-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide
CID 115310434
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 63719308
N-(3-carbamoyl-2-methylpentan-3-yl)-5-cyanopyridine-2-carboxamide
CID 86786687
N-but-2-ynyl-5-cyanopyridine-2-carboxamide
CID 115866853
2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid
CID 55228672
5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 111480323
N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705
5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide
CID 115116632
3-[(5-cyano-3-nitro-2-pyridinyl)amino]-2,2,3-trimethylbutanoic acid
CID 103469988

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyanopyridine-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[(5-cyanopyridine-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid (CID 65261170) is 3-[(5-cyanopyridine-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[(5-cyanopyridine-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[(5-cyanopyridine-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid is CC(C)(NC(=O)c1ccc(C#N)cn1)C(C)(C)C(=O)O.
What is the InChIKey of 3-[(5-cyanopyridine-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is GZOCCBRAUIYGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-13(2,12(19)20)14(3,4)17-11(18)10-6-5-9(7-15)8-16-10/h5-6,8H,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(5-cyanopyridine-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
3-[(5-cyanopyridine-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyanopyridine-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65261170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).