3-fluoro-2-[methyl-[3-(methylamino)propyl]amino]pyridine-4-carboxylic acid

C11H16FN3O2 — CID 105382506

IUPAC3-fluoro-2-[methyl-[3-(methylamino)propyl]amino]pyridine-4-carboxylic acid
SMILESCNCCCN(C)c1nccc(C(=O)O)c1F
InChIInChI=1S/C11H16FN3O2/c1-13-5-3-7-15(2)10-9(12)8(11(16)17)4-6-14-10/h4,6,13H,3,5,7H2,1-2H3,(H,16,17)
InChIKeyPPTRNFUPWNPIJM-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.96
Rot. Bonds6

About 3-fluoro-2-[methyl-[3-(methylamino)propyl]amino]pyridine-4-carboxylic acid

3-fluoro-2-[methyl-[3-(methylamino)propyl]amino]pyridine-4-carboxylic acid (PubChem CID 105382506) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-fluoro-2-[methyl-[3-(methylamino)propyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-[methyl-[3-(methylamino)propyl]amino]pyridine-4-carboxylic acid
PubChem CID105382506
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name3-fluoro-2-[methyl-[3-(methylamino)propyl]amino]pyridine-4-carboxylic acid
SMILESCNCCCN(C)c1nccc(C(=O)O)c1F
InChIInChI=1S/C11H16FN3O2/c1-13-5-3-7-15(2)10-9(12)8(11(16)17)4-6-14-10/h4,6,13H,3,5,7H2,1-2H3,(H,16,17)
InChIKeyPPTRNFUPWNPIJM-UHFFFAOYSA-N
XLogP0.96
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid
CID 105381967
3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 105382002
2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid
CID 105381871
2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382004
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluoropyridine-4-carboxylic acid
CID 105382343
3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 105382575
3-chloro-2-[methyl(pent-4-enyl)amino]pyridine-4-carboxylic acid
CID 107063051
3-fluoro-2-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 105382713
2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382212
N'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine
CID 106536904
2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382292
3-[methyl(propyl)amino]pyridazine-4-carboxylic acid
CID 80517652

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[methyl-[3-(methylamino)propyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-[methyl-[3-(methylamino)propyl]amino]pyridine-4-carboxylic acid (CID 105382506) is 3-fluoro-2-[methyl-[3-(methylamino)propyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-[methyl-[3-(methylamino)propyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-[methyl-[3-(methylamino)propyl]amino]pyridine-4-carboxylic acid is CNCCCN(C)c1nccc(C(=O)O)c1F.
What is the InChIKey of 3-fluoro-2-[methyl-[3-(methylamino)propyl]amino]pyridine-4-carboxylic acid?
The InChIKey is PPTRNFUPWNPIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-13-5-3-7-15(2)10-9(12)8(11(16)17)4-6-14-10/h4,6,13H,3,5,7H2,1-2H3,(H,16,17).
What are the key properties of 3-fluoro-2-[methyl-[3-(methylamino)propyl]amino]pyridine-4-carboxylic acid?
3-fluoro-2-[methyl-[3-(methylamino)propyl]amino]pyridine-4-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[methyl-[3-(methylamino)propyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105382506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).