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

C14H17N3O3 — CID 139637596

IUPAC2-[(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)methyl]pyridine-3-carboxylic acid
SMILESCC(C)C1(C)N=C(Cc2ncccc2C(=O)O)NC1=O
InChIInChI=1S/C14H17N3O3/c1-8(2)14(3)13(20)16-11(17-14)7-10-9(12(18)19)5-4-6-15-10/h4-6,8H,7H2,1-3H3,(H,18,19)(H,16,17,20)
InChIKeyGDVRTHGSDFSBHE-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.27
Rot. Bonds4

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

2-[(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)methyl]pyridine-3-carboxylic acid (PubChem CID 139637596) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)methyl]pyridine-3-carboxylic acid
PubChem CID139637596
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)methyl]pyridine-3-carboxylic acid
SMILESCC(C)C1(C)N=C(Cc2ncccc2C(=O)O)NC1=O
InChIInChI=1S/C14H17N3O3/c1-8(2)14(3)13(20)16-11(17-14)7-10-9(12(18)19)5-4-6-15-10/h4-6,8H,7H2,1-3H3,(H,18,19)(H,16,17,20)
InChIKeyGDVRTHGSDFSBHE-UHFFFAOYSA-N
XLogP1.27
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-3-carboxy-2-methylpropyl]pyridine-3-carboxylic acid
CID 163000699
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxamide
CID 13250671
sodium;hydride;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid
CID 173424593
2-benzylpyridine-3-carboxylic acid;2-hydroxybutanedioic acid
CID 66808540
ethyl 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylate
CID 51674642
N-(2-chloroethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxamide
CID 13250670
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-5-[(Z)-2-phenylethenyl]pyridine-3-carboxylic acid
CID 70411627
5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;bis(2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid)
CID 173366406
2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123
2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]quinoline-3-carboxylic acid
CID 909781
2-(aminooxymethyl)pyridine-3-carboxylic acid
CID 127018679

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)methyl]pyridine-3-carboxylic acid (CID 139637596) is 2-[(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)methyl]pyridine-3-carboxylic acid is CC(C)C1(C)N=C(Cc2ncccc2C(=O)O)NC1=O.
What is the InChIKey of 2-[(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)methyl]pyridine-3-carboxylic acid?
The InChIKey is GDVRTHGSDFSBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8(2)14(3)13(20)16-11(17-14)7-10-9(12(18)19)5-4-6-15-10/h4-6,8H,7H2,1-3H3,(H,18,19)(H,16,17,20).
What are the key properties of 2-[(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)methyl]pyridine-3-carboxylic acid?
2-[(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)methyl]pyridine-3-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 139637596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).