6-[(oxan-3-ylamino)methyl]pyridine-2-carboxylic acid

C12H16N2O3 — CID 106904699

IUPAC6-[(oxan-3-ylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNC2CCCOC2)n1
InChIInChI=1S/C12H16N2O3/c15-12(16)11-5-1-3-9(14-11)7-13-10-4-2-6-17-8-10/h1,3,5,10,13H,2,4,6-8H2,(H,15,16)
InChIKeyNSLFQTMAXMGVTN-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.05
Rot. Bonds4

About 6-[(oxan-3-ylamino)methyl]pyridine-2-carboxylic acid

6-[(oxan-3-ylamino)methyl]pyridine-2-carboxylic acid (PubChem CID 106904699) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-[(oxan-3-ylamino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(oxan-3-ylamino)methyl]pyridine-2-carboxylic acid
PubChem CID106904699
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-[(oxan-3-ylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNC2CCCOC2)n1
InChIInChI=1S/C12H16N2O3/c15-12(16)11-5-1-3-9(14-11)7-13-10-4-2-6-17-8-10/h1,3,5,10,13H,2,4,6-8H2,(H,15,16)
InChIKeyNSLFQTMAXMGVTN-UHFFFAOYSA-N
XLogP1.05
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(oxan-3-ylamino)methyl]benzoic acid
CID 103251620
5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid
CID 63359979
2-[(oxan-3-ylamino)methyl]furan-3-carboxylic acid
CID 103251607
6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904668
2-nitro-6-[(oxan-3-ylamino)methyl]benzoic acid
CID 103251627
N-(pyrimidin-4-ylmethyl)oxan-3-amine
CID 63360348
N-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine
CID 115906683
N,N-dimethyl-6-[(oxolan-3-ylamino)methyl]pyridin-2-amine
CID 115765993
6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904706
6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid
CID 106903338
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[(thian-4-ylmethylamino)methyl]pyridine-2-carboxylic acid
CID 106904943

Frequently Asked Questions

What is the IUPAC name of 6-[(oxan-3-ylamino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(oxan-3-ylamino)methyl]pyridine-2-carboxylic acid (CID 106904699) is 6-[(oxan-3-ylamino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(oxan-3-ylamino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(oxan-3-ylamino)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(CNC2CCCOC2)n1.
What is the InChIKey of 6-[(oxan-3-ylamino)methyl]pyridine-2-carboxylic acid?
The InChIKey is NSLFQTMAXMGVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-12(16)11-5-1-3-9(14-11)7-13-10-4-2-6-17-8-10/h1,3,5,10,13H,2,4,6-8H2,(H,15,16).
What are the key properties of 6-[(oxan-3-ylamino)methyl]pyridine-2-carboxylic acid?
6-[(oxan-3-ylamino)methyl]pyridine-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(oxan-3-ylamino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).