2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid

C13H18N2O3 — CID 106328232

IUPAC2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCCC(C)(CC)NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C13H18N2O3/c1-4-13(3,5-2)15-11(16)10-9(12(17)18)7-6-8-14-10/h6-8H,4-5H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyOCZUQVGEWBAMOQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.09
Rot. Bonds5

About 2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid

2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 106328232) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID106328232
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCCC(C)(CC)NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C13H18N2O3/c1-4-13(3,5-2)15-11(16)10-9(12(17)18)7-6-8-14-10/h6-8H,4-5H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyOCZUQVGEWBAMOQ-UHFFFAOYSA-N
XLogP2.09
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 114155377
2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid
CID 82720780
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
2-(ethoxycarbamoyl)pyridine-3-carboxylic acid
CID 64974014
3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide
CID 99697185
2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid
CID 57302140
2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid
CID 63614574
2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63615728
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422
2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid
CID 63616068
2-(2-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 55247596
pyridine-2,3-dicarboxylic acid
CID 1066

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid (CID 106328232) is 2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid is CCC(C)(CC)NC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is OCZUQVGEWBAMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-13(3,5-2)15-11(16)10-9(12(17)18)7-6-8-14-10/h6-8H,4-5H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid?
2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 106328232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).