3-fluoro-2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]pyridine-4-carboxylic acid

C13H18FN3O3 — CID 105382627

IUPAC3-fluoro-2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]pyridine-4-carboxylic acid
SMILESCC(C)CNC(=O)CCNc1nccc(C(=O)O)c1F
InChIInChI=1S/C13H18FN3O3/c1-8(2)7-17-10(18)4-6-16-12-11(14)9(13(19)20)3-5-15-12/h3,5,8H,4,6-7H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyHWTXGUWXGBAPHI-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.49
Rot. Bonds7

About 3-fluoro-2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]pyridine-4-carboxylic acid

3-fluoro-2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]pyridine-4-carboxylic acid (PubChem CID 105382627) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-fluoro-2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]pyridine-4-carboxylic acid
PubChem CID105382627
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name3-fluoro-2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]pyridine-4-carboxylic acid
SMILESCC(C)CNC(=O)CCNc1nccc(C(=O)O)c1F
InChIInChI=1S/C13H18FN3O3/c1-8(2)7-17-10(18)4-6-16-12-11(14)9(13(19)20)3-5-15-12/h3,5,8H,4,6-7H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyHWTXGUWXGBAPHI-UHFFFAOYSA-N
XLogP1.49
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 105382410
2-[2-(carbamoylamino)ethylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382591
3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid
CID 105381797
N-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 114569295
2-amino-4-[[3-(2-methylpropylamino)-3-oxopropyl]amino]benzoic acid
CID 104500891
3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 105382642
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid
CID 106278197
N-[2-(ethylamino)-2-oxoethyl]-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384867
3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid
CID 105382378
N-(2-cyclopropylpropyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387388
2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid
CID 105381902
N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide
CID 62735284

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]pyridine-4-carboxylic acid (CID 105382627) is 3-fluoro-2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]pyridine-4-carboxylic acid is CC(C)CNC(=O)CCNc1nccc(C(=O)O)c1F.
What is the InChIKey of 3-fluoro-2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]pyridine-4-carboxylic acid?
The InChIKey is HWTXGUWXGBAPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-8(2)7-17-10(18)4-6-16-12-11(14)9(13(19)20)3-5-15-12/h3,5,8H,4,6-7H2,1-2H3,(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 3-fluoro-2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]pyridine-4-carboxylic acid?
3-fluoro-2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]pyridine-4-carboxylic acid has a molecular weight of 283.30 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105382627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).