2-[2-(3-methylbutyl)pyrimidin-4-yl]pyridine-4-carboxylic acid

C15H17N3O2 — CID 56874192

IUPAC2-[2-(3-methylbutyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESCC(C)CCc1nccc(-c2cc(C(=O)O)ccn2)n1
InChIInChI=1S/C15H17N3O2/c1-10(2)3-4-14-17-8-6-12(18-14)13-9-11(15(19)20)5-7-16-13/h5-10H,3-4H2,1-2H3,(H,19,20)
InChIKeyCTFAKGWHNNKUQW-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.83
Rot. Bonds5

About 2-[2-(3-methylbutyl)pyrimidin-4-yl]pyridine-4-carboxylic acid

2-[2-(3-methylbutyl)pyrimidin-4-yl]pyridine-4-carboxylic acid (PubChem CID 56874192) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[2-(3-methylbutyl)pyrimidin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-methylbutyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
PubChem CID56874192
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[2-(3-methylbutyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESCC(C)CCc1nccc(-c2cc(C(=O)O)ccn2)n1
InChIInChI=1S/C15H17N3O2/c1-10(2)3-4-14-17-8-6-12(18-14)13-9-11(15(19)20)5-7-16-13/h5-10H,3-4H2,1-2H3,(H,19,20)
InChIKeyCTFAKGWHNNKUQW-UHFFFAOYSA-N
XLogP2.83
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-methylbutyl)pyrimidin-4-yl]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56878845
3-(2-ethylpyrimidin-4-yl)benzoic acid
CID 105485424
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid
CID 56861601
3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid
CID 140591026
2-[2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 95867019
2-[2-[2-(dimethylsulfamoyl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70742287
2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine
CID 160626677
4-(4-pyridin-2-ylpyrimidin-2-yl)butan-2-amine
CID 116898349
2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid
CID 58252537
2-[2-[2-(5-methylfuran-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70743386
2-[2-[methyl-[(4-methylphenyl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56878281

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbutyl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(3-methylbutyl)pyrimidin-4-yl]pyridine-4-carboxylic acid (CID 56874192) is 2-[2-(3-methylbutyl)pyrimidin-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(3-methylbutyl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(3-methylbutyl)pyrimidin-4-yl]pyridine-4-carboxylic acid is CC(C)CCc1nccc(-c2cc(C(=O)O)ccn2)n1.
What is the InChIKey of 2-[2-(3-methylbutyl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The InChIKey is CTFAKGWHNNKUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10(2)3-4-14-17-8-6-12(18-14)13-9-11(15(19)20)5-7-16-13/h5-10H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(3-methylbutyl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
2-[2-(3-methylbutyl)pyrimidin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbutyl)pyrimidin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 56874192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).