5-(1,3-dioxolan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid

C16H19N3O5 — CID 15672410

IUPAC5-(1,3-dioxolan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
SMILESCC(C)C1(C)N=C(c2ncc(C3OCCO3)cc2C(=O)O)NC1=O
InChIInChI=1S/C16H19N3O5/c1-8(2)16(3)15(22)18-12(19-16)11-10(13(20)21)6-9(7-17-11)14-23-4-5-24-14/h6-8,14H,4-5H2,1-3H3,(H,20,21)(H,18,19,22)
InChIKeyHJBRBHUHPDVHBR-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.12
Rot. Bonds4

About 5-(1,3-dioxolan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid

5-(1,3-dioxolan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid (PubChem CID 15672410) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 5-(1,3-dioxolan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-dioxolan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
PubChem CID15672410
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name5-(1,3-dioxolan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
SMILESCC(C)C1(C)N=C(c2ncc(C3OCCO3)cc2C(=O)O)NC1=O
InChIInChI=1S/C16H19N3O5/c1-8(2)16(3)15(22)18-12(19-16)11-10(13(20)21)6-9(7-17-11)14-23-4-5-24-14/h6-8,14H,4-5H2,1-3H3,(H,20,21)(H,18,19,22)
InChIKeyHJBRBHUHPDVHBR-UHFFFAOYSA-N
XLogP1.12
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Imazapyr
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Imazethapyr
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Imazapic-ammonium
CID 18772439
5-Carboxy Imazapyr
CID 132585357
Imazamox-ammonium
CID 18772481
R-(-)-Imazethapyr
CID 6999124
S-(+)-Imazethapyr
CID 7020450
alpha-(Hydroxyethyl)imazethapyr
CID 178217
2-[(4RS)-4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl]pyridine-3,5-dicarboxylic acid
CID 165362798
2-((4R)-4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-pyridinecarboxylic acid
CID 766748

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxolan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(1,3-dioxolan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid (CID 15672410) is 5-(1,3-dioxolan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(1,3-dioxolan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(1,3-dioxolan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid is CC(C)C1(C)N=C(c2ncc(C3OCCO3)cc2C(=O)O)NC1=O.
What is the InChIKey of 5-(1,3-dioxolan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
The InChIKey is HJBRBHUHPDVHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-8(2)16(3)15(22)18-12(19-16)11-10(13(20)21)6-9(7-17-11)14-23-4-5-24-14/h6-8,14H,4-5H2,1-3H3,(H,20,21)(H,18,19,22).
What are the key properties of 5-(1,3-dioxolan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
5-(1,3-dioxolan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid has a molecular weight of 333.34 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxolan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 15672410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).