3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid

C14H16N4O3 — CID 61006797

IUPAC3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C14H16N4O3/c1-2-17(7-5-13(19)20)14(21)11-3-4-12(16-9-11)18-8-6-15-10-18/h3-4,6,8-10H,2,5,7H2,1H3,(H,19,20)
InChIKeyHAMFMSULZKOQKZ-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.20
Rot. Bonds6

About 3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid

3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid (PubChem CID 61006797) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
PubChem CID61006797
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C14H16N4O3/c1-2-17(7-5-13(19)20)14(21)11-3-4-12(16-9-11)18-8-6-15-10-18/h3-4,6,8-10H,2,5,7H2,1H3,(H,19,20)
InChIKeyHAMFMSULZKOQKZ-UHFFFAOYSA-N
XLogP1.20
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid
CID 61006798
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 110886459
N-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine
CID 142231842
N,N-diethyl-6-pyrrol-1-ylpyridine-3-carboxamide
CID 10060343
N-(1-aminopropan-2-yl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;dihydrochloride
CID 119584534
N-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 111444790
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427337
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
6-imidazol-1-yl-N-piperidin-4-yl-N-propylpyridine-3-carboxamide
CID 119825756
N-(2,2-dimethylpropyl)-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide
CID 23588390

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid (CID 61006797) is 3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of 3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is HAMFMSULZKOQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-2-17(7-5-13(19)20)14(21)11-3-4-12(16-9-11)18-8-6-15-10-18/h3-4,6,8-10H,2,5,7H2,1H3,(H,19,20).
What are the key properties of 3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid?
3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 288.31 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61006797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).