6-[3-[(oxane-4-carbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid

C18H25N3O4 — CID 131945133

IUPAC6-[3-[(oxane-4-carbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCCC(CNC(=O)C3CCOCC3)C2)nc1
InChIInChI=1S/C18H25N3O4/c22-17(14-5-8-25-9-6-14)20-10-13-2-1-7-21(12-13)16-4-3-15(11-19-16)18(23)24/h3-4,11,13-14H,1-2,5-10,12H2,(H,20,22)(H,23,24)
InChIKeySGRVQXGXOUVNGO-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.54
Rot. Bonds5

About 6-[3-[(oxane-4-carbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid

6-[3-[(oxane-4-carbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 131945133) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-[3-[(oxane-4-carbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-[(oxane-4-carbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID131945133
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name6-[3-[(oxane-4-carbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCCC(CNC(=O)C3CCOCC3)C2)nc1
InChIInChI=1S/C18H25N3O4/c22-17(14-5-8-25-9-6-14)20-10-13-2-1-7-21(12-13)16-4-3-15(11-19-16)18(23)24/h3-4,11,13-14H,1-2,5-10,12H2,(H,20,22)(H,23,24)
InChIKeySGRVQXGXOUVNGO-UHFFFAOYSA-N
XLogP1.54
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 107227673
6-[(3S,4R)-3-cyclopropyl-4-(oxane-4-carbonylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 72839154
6-[(3R,4S)-3-cyclopropyl-4-(oxane-4-carbonylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 133133387
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]oxane-4-carboxamide
CID 113015664
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
2-[[6-(azepan-1-yl)pyridine-3-carbonyl]-(oxan-4-yl)amino]acetic acid
CID 75469156
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 131911346
(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557148
N,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133331661
N-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide
CID 131951672

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(oxane-4-carbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-[(oxane-4-carbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid (CID 131945133) is 6-[3-[(oxane-4-carbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-[(oxane-4-carbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-[(oxane-4-carbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(N2CCCC(CNC(=O)C3CCOCC3)C2)nc1.
What is the InChIKey of 6-[3-[(oxane-4-carbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is SGRVQXGXOUVNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c22-17(14-5-8-25-9-6-14)20-10-13-2-1-7-21(12-13)16-4-3-15(11-19-16)18(23)24/h3-4,11,13-14H,1-2,5-10,12H2,(H,20,22)(H,23,24).
What are the key properties of 6-[3-[(oxane-4-carbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid?
6-[3-[(oxane-4-carbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(oxane-4-carbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 131945133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).