3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid

C14H16N4O3 — CID 115427337

IUPAC3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)c1ccc(-n2ccnc2)nc1)C(=O)O
InChIInChI=1S/C14H16N4O3/c1-14(2,13(20)21)8-17-12(19)10-3-4-11(16-7-10)18-6-5-15-9-18/h3-7,9H,8H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyFTGUQGLPXDIFFR-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.11
Rot. Bonds5

About 3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid

3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 115427337) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
PubChem CID115427337
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)c1ccc(-n2ccnc2)nc1)C(=O)O
InChIInChI=1S/C14H16N4O3/c1-14(2,13(20)21)8-17-12(19)10-3-4-11(16-7-10)18-6-5-15-9-18/h3-7,9H,8H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyFTGUQGLPXDIFFR-UHFFFAOYSA-N
XLogP1.11
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 104862732
N-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 111444790
6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 23594782
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
N-(cyclopropylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152532
2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 43355195
2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid
CID 81367392
N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 111428654
N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 146088860
6-imidazol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24666420
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 79246612

Frequently Asked Questions

What is the IUPAC name of 3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid (CID 115427337) is 3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)c1ccc(-n2ccnc2)nc1)C(=O)O.
What is the InChIKey of 3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is FTGUQGLPXDIFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-14(2,13(20)21)8-17-12(19)10-3-4-11(16-7-10)18-6-5-15-9-18/h3-7,9H,8H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid?
3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 288.31 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115427337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).