2-[methyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]pyridine-4-carboxylic acid

C15H20N2O5 — CID 122056020

IUPAC2-[methyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]pyridine-4-carboxylic acid
SMILESCN(CCC(=O)OC(C)(C)C)C(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C15H20N2O5/c1-15(2,3)22-12(18)6-8-17(4)13(19)11-9-10(14(20)21)5-7-16-11/h5,7,9H,6,8H2,1-4H3,(H,20,21)
InChIKeyWPALGXRUMGETJP-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.58
Rot. Bonds5

About 2-[methyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]pyridine-4-carboxylic acid

2-[methyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]pyridine-4-carboxylic acid (PubChem CID 122056020) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[methyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]pyridine-4-carboxylic acid
PubChem CID122056020
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name2-[methyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]pyridine-4-carboxylic acid
SMILESCN(CCC(=O)OC(C)(C)C)C(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C15H20N2O5/c1-15(2,3)22-12(18)6-8-17(4)13(19)11-9-10(14(20)21)5-7-16-11/h5,7,9H,6,8H2,1-4H3,(H,20,21)
InChIKeyWPALGXRUMGETJP-UHFFFAOYSA-N
XLogP1.58
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Acetyl-3-pyridinecarboxylic acid
CID 10176278
2-(((2-((2-(Dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinic acid
CID 86346639
Kdm5-C70
CID 90094283
2-Carbamoylpyridine-3-carboxylic acid
CID 258810
Methyl 2-[[[2-[[2-(dimethylamino)ethyl]ethylamino]-2-oxoethyl]amino]methyl]-4-pyridinecarboxylate
CID 90094442
2-[[(1-Ethyl-2-oxopyrrolidin-3-yl)methylamino]methyl]pyridine-4-carboxylic acid
CID 118420829
2-[[[(3R)-1-ethyl-2-oxopiperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid
CID 118420859
6-(Methylcarbamoyl)pyridine-3-carboxylic acid
CID 15185418
2-({[(Tert-butoxy)carbonyl]amino}methyl)pyridine-4-carboxylic acid
CID 21949790
Amycolasporin C
CID 156580979
2-Carbamoylpyridine-4-carboxylic acid
CID 19966498
6-Dimethylaminocarbonyl nicotinic acid
CID 21696861

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[methyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]pyridine-4-carboxylic acid (CID 122056020) is 2-[methyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[methyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[methyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]pyridine-4-carboxylic acid is CN(CCC(=O)OC(C)(C)C)C(=O)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[methyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]pyridine-4-carboxylic acid?
The InChIKey is WPALGXRUMGETJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-15(2,3)22-12(18)6-8-17(4)13(19)11-9-10(14(20)21)5-7-16-11/h5,7,9H,6,8H2,1-4H3,(H,20,21).
What are the key properties of 2-[methyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]pyridine-4-carboxylic acid?
2-[methyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]pyridine-4-carboxylic acid has a molecular weight of 308.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122056020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).