6-[[ethyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid

C14H20N2O3 — CID 74234981

IUPAC6-[[ethyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCCN(Cc1cccc(C(=O)O)n1)C1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-2-16(12-6-8-19-9-7-12)10-11-4-3-5-13(15-11)14(17)18/h3-5,12H,2,6-10H2,1H3,(H,17,18)
InChIKeyPKXDUNQAQWSRGT-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.78
Rot. Bonds5

About 6-[[ethyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid

6-[[ethyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 74234981) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-[[ethyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[ethyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID74234981
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-[[ethyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCCN(Cc1cccc(C(=O)O)n1)C1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-2-16(12-6-8-19-9-7-12)10-11-4-3-5-13(15-11)14(17)18/h3-5,12H,2,6-10H2,1H3,(H,17,18)
InChIKeyPKXDUNQAQWSRGT-UHFFFAOYSA-N
XLogP1.78
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Pyridinedicarboxylic acid
CID 10367
6-Methylpyridine-2-carboxylic acid
CID 70282
Diethyl dipicolinate
CID 254510
6-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 4019172
Dibutyl pyridine-2,6-dicarboxylate
CID 96561
Dimethyl pyridine-2,6-carboxylate
CID 79549
Hydroxy(6-methyl-2-pyridyl)methyl 6-methyl-2-pyridyl ketone
CID 97927
6-[[2-[(6-Carboxy-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylic acid
CID 58567052
Ethyl 6-acetylpyridine-2-carboxylate
CID 11586434
6-(Methylcarbamoyl)pyridine-2-carboxylic acid
CID 43558273
3,6,9,12,15-Pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
CID 326421
Methyl 6-methylpyridine-2-carboxylate
CID 73022

Frequently Asked Questions

What is the IUPAC name of 6-[[ethyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[ethyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid (CID 74234981) is 6-[[ethyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[ethyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[ethyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid is CCN(Cc1cccc(C(=O)O)n1)C1CCOCC1.
What is the InChIKey of 6-[[ethyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is PKXDUNQAQWSRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-16(12-6-8-19-9-7-12)10-11-4-3-5-13(15-11)14(17)18/h3-5,12H,2,6-10H2,1H3,(H,17,18).
What are the key properties of 6-[[ethyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid?
6-[[ethyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[ethyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 74234981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).