5-(carboxyamino)-6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid

C15H18N4O5 — CID 19010356

IUPAC5-(carboxyamino)-6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
SMILESCc1nc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)cc1NC(=O)O
InChIInChI=1S/C15H18N4O5/c1-6(2)15(4)13(22)18-11(19-15)10-8(12(20)21)5-9(7(3)16-10)17-14(23)24/h5-6,17H,1-4H3,(H,20,21)(H,23,24)(H,18,19,22)
InChIKeyQDFWBLYSTHMGML-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.47
Rot. Bonds4

About 5-(carboxyamino)-6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid

5-(carboxyamino)-6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid (PubChem CID 19010356) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 5-(carboxyamino)-6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(carboxyamino)-6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
PubChem CID19010356
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC Name5-(carboxyamino)-6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
SMILESCc1nc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)cc1NC(=O)O
InChIInChI=1S/C15H18N4O5/c1-6(2)15(4)13(22)18-11(19-15)10-8(12(20)21)5-9(7(3)16-10)17-14(23)24/h5-6,17H,1-4H3,(H,20,21)(H,23,24)(H,18,19,22)
InChIKeyQDFWBLYSTHMGML-UHFFFAOYSA-N
XLogP1.47
TPSA140.98 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(carboxyamino)-6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(carboxyamino)-6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid (CID 19010356) is 5-(carboxyamino)-6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(carboxyamino)-6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(carboxyamino)-6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid is Cc1nc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)cc1NC(=O)O.
What is the InChIKey of 5-(carboxyamino)-6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
The InChIKey is QDFWBLYSTHMGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5/c1-6(2)15(4)13(22)18-11(19-15)10-8(12(20)21)5-9(7(3)16-10)17-14(23)24/h5-6,17H,1-4H3,(H,20,21)(H,23,24)(H,18,19,22).
What are the key properties of 5-(carboxyamino)-6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
5-(carboxyamino)-6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid has a molecular weight of 334.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carboxyamino)-6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 19010356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).