6-[[(5-methylfuran-2-yl)methylamino]methyl]pyridine-2-carboxylic acid

C13H14N2O3 — CID 106904658

IUPAC6-[[(5-methylfuran-2-yl)methylamino]methyl]pyridine-2-carboxylic acid
SMILESCc1ccc(CNCc2cccc(C(=O)O)n2)o1
InChIInChI=1S/C13H14N2O3/c1-9-5-6-11(18-9)8-14-7-10-3-2-4-12(15-10)13(16)17/h2-6,14H,7-8H2,1H3,(H,16,17)
InChIKeyXVNZZUGMAIEVBB-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.97
Rot. Bonds5

About 6-[[(5-methylfuran-2-yl)methylamino]methyl]pyridine-2-carboxylic acid

6-[[(5-methylfuran-2-yl)methylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904658) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-[[(5-methylfuran-2-yl)methylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(5-methylfuran-2-yl)methylamino]methyl]pyridine-2-carboxylic acid
PubChem CID106904658
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name6-[[(5-methylfuran-2-yl)methylamino]methyl]pyridine-2-carboxylic acid
SMILESCc1ccc(CNCc2cccc(C(=O)O)n2)o1
InChIInChI=1S/C13H14N2O3/c1-9-5-6-11(18-9)8-14-7-10-3-2-4-12(15-10)13(16)17/h2-6,14H,7-8H2,1H3,(H,16,17)
InChIKeyXVNZZUGMAIEVBB-UHFFFAOYSA-N
XLogP1.97
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904607
6-[(but-2-ynylamino)methyl]pyridine-2-carboxylic acid
CID 106904962
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904960
6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid
CID 106904993
6-[(3-methylbut-2-enylamino)methyl]pyridine-2-carboxylic acid
CID 106190462
6-[[(5-bromothiophen-2-yl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904513
6-[(3-hydroxybutylamino)methyl]pyridine-2-carboxylic acid
CID 106904745
6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904472
6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608
6-[[(2,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904640

Frequently Asked Questions

What is the IUPAC name of 6-[[(5-methylfuran-2-yl)methylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(5-methylfuran-2-yl)methylamino]methyl]pyridine-2-carboxylic acid (CID 106904658) is 6-[[(5-methylfuran-2-yl)methylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(5-methylfuran-2-yl)methylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(5-methylfuran-2-yl)methylamino]methyl]pyridine-2-carboxylic acid is Cc1ccc(CNCc2cccc(C(=O)O)n2)o1.
What is the InChIKey of 6-[[(5-methylfuran-2-yl)methylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is XVNZZUGMAIEVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9-5-6-11(18-9)8-14-7-10-3-2-4-12(15-10)13(16)17/h2-6,14H,7-8H2,1H3,(H,16,17).
What are the key properties of 6-[[(5-methylfuran-2-yl)methylamino]methyl]pyridine-2-carboxylic acid?
6-[[(5-methylfuran-2-yl)methylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(5-methylfuran-2-yl)methylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).