2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid

C11H11N3O3 — CID 55228672

IUPAC2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(C#N)cn1)C(=O)O
InChIInChI=1S/C11H11N3O3/c1-2-8(11(16)17)14-10(15)9-4-3-7(5-12)6-13-9/h3-4,6,8H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyJFEKBHILSLSZRS-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.55
Rot. Bonds4

About 2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid

2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid (PubChem CID 55228672) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid
PubChem CID55228672
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(C#N)cn1)C(=O)O
InChIInChI=1S/C11H11N3O3/c1-2-8(11(16)17)14-10(15)9-4-3-7(5-12)6-13-9/h3-4,6,8H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyJFEKBHILSLSZRS-UHFFFAOYSA-N
XLogP0.55
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid
CID 98538518
N-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide
CID 65193453
2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 114908315
5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 55229031
3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166460
N-(1-chloro-4-methylpentan-2-yl)-5-cyanopyridine-2-carboxamide
CID 113272506
5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 65043816
5-cyano-N-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyridine-2-carboxamide
CID 97001137
5-cyano-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]pyridine-2-carboxamide
CID 97001134
(2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834949
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
N-but-2-ynyl-5-cyanopyridine-2-carboxamide
CID 115866853

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid (CID 55228672) is 2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid is CCC(NC(=O)c1ccc(C#N)cn1)C(=O)O.
What is the InChIKey of 2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid?
The InChIKey is JFEKBHILSLSZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-2-8(11(16)17)14-10(15)9-4-3-7(5-12)6-13-9/h3-4,6,8H,2H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid?
2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid has a molecular weight of 233.23 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 55228672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).