6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid

C16H23N3O4 — CID 67399271

IUPAC6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C16H23N3O4/c1-16(2,3)23-15(22)19-8-6-12(7-9-19)18-13-5-4-11(10-17-13)14(20)21/h4-5,10,12H,6-9H2,1-3H3,(H,17,18)(H,20,21)
InChIKeyKZLCZJBRFFMHTK-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.59
Rot. Bonds3

About 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid

6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid (PubChem CID 67399271) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid
PubChem CID67399271
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C16H23N3O4/c1-16(2,3)23-15(22)19-8-6-12(7-9-19)18-13-5-4-11(10-17-13)14(20)21/h4-5,10,12H,6-9H2,1-3H3,(H,17,18)(H,20,21)
InChIKeyKZLCZJBRFFMHTK-UHFFFAOYSA-N
XLogP2.59
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid (CID 67399271) is 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCC(Nc2ccc(C(=O)O)cn2)CC1.
What is the InChIKey of 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is KZLCZJBRFFMHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-16(2,3)23-15(22)19-8-6-12(7-9-19)18-13-5-4-11(10-17-13)14(20)21/h4-5,10,12H,6-9H2,1-3H3,(H,17,18)(H,20,21).
What are the key properties of 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid?
6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 67399271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).