6-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-ylcarbamoyl]pyridine-2-carboxylic acid

C17H23N3O5 — CID 90741298

IUPAC6-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-ylcarbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N(C(=O)c1cccc(C(=O)O)n1)C1CCNCC1
InChIInChI=1S/C17H23N3O5/c1-17(2,3)25-16(24)20(11-7-9-18-10-8-11)14(21)12-5-4-6-13(19-12)15(22)23/h4-6,11,18H,7-10H2,1-3H3,(H,22,23)
InChIKeyJFMSFZQAIQTJHX-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.91
Rot. Bonds3

About 6-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-ylcarbamoyl]pyridine-2-carboxylic acid

6-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-ylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 90741298) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-ylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-ylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID90741298
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Name6-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-ylcarbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N(C(=O)c1cccc(C(=O)O)n1)C1CCNCC1
InChIInChI=1S/C17H23N3O5/c1-17(2,3)25-16(24)20(11-7-9-18-10-8-11)14(21)12-5-4-6-13(19-12)15(22)23/h4-6,11,18H,7-10H2,1-3H3,(H,22,23)
InChIKeyJFMSFZQAIQTJHX-UHFFFAOYSA-N
XLogP1.91
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[2-[(6-Carboxy-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylic acid
CID 58567052
6-(Methylcarbamoyl)pyridine-2-carboxylic acid
CID 43558273
6-(Pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558255
6-((1-((R)-1-carboxy-2-phenylethylamino)-4-mercapto-1-oxobutan-2-yl)carbamoyl)picolinic acid
CID 44416876
6-((1-((R)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-4-mercapto-1-oxobutan-2-yl)carbamoyl)picolinic acid
CID 44417193
6,6'-(Azanediylbis(methylene))dipicolinic acid
CID 155126357
6-[[Carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 101447146
6-[[[(1R)-1-carboxyethyl]-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 164617954
6-[[[(1S)-1-carboxyethyl]-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 164628260
6-(Phenylcarbamoyl)pyridine-2-carboxylic acid
CID 43558257
6-(Cyclohexylcarbamoyl)pyridine-2-carboxylic acid
CID 43558256
6-[(Propan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 43558264

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-ylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-ylcarbamoyl]pyridine-2-carboxylic acid (CID 90741298) is 6-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-ylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-ylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-ylcarbamoyl]pyridine-2-carboxylic acid is CC(C)(C)OC(=O)N(C(=O)c1cccc(C(=O)O)n1)C1CCNCC1.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-ylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is JFMSFZQAIQTJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-17(2,3)25-16(24)20(11-7-9-18-10-8-11)14(21)12-5-4-6-13(19-12)15(22)23/h4-6,11,18H,7-10H2,1-3H3,(H,22,23).
What are the key properties of 6-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-ylcarbamoyl]pyridine-2-carboxylic acid?
6-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-ylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-ylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 90741298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).