2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid

C12H16FN3O3 — CID 106278197

IUPAC2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid
SMILESCNC(=O)C(C)(C)CNc1nccc(C(=O)O)c1F
InChIInChI=1S/C12H16FN3O3/c1-12(2,11(19)14-3)6-16-9-8(13)7(10(17)18)4-5-15-9/h4-5H,6H2,1-3H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyAGTWLGJFGFGEQN-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.10
Rot. Bonds5

About 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid

2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid (PubChem CID 106278197) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid
PubChem CID106278197
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid
SMILESCNC(=O)C(C)(C)CNc1nccc(C(=O)O)c1F
InChIInChI=1S/C12H16FN3O3/c1-12(2,11(19)14-3)6-16-9-8(13)7(10(17)18)4-5-15-9/h4-5H,6H2,1-3H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyAGTWLGJFGFGEQN-UHFFFAOYSA-N
XLogP1.10
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 105382642
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2,3-difluorobenzoic acid
CID 106278422
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-5-fluoropyridine-3-carboxylic acid
CID 106278118
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 113278138
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
2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid
CID 105381902
3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 114167524
2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 114136294
3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823311
N,2,2-trimethyl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide
CID 103823192

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid (CID 106278197) is 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid is CNC(=O)C(C)(C)CNc1nccc(C(=O)O)c1F.
What is the InChIKey of 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid?
The InChIKey is AGTWLGJFGFGEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-12(2,11(19)14-3)6-16-9-8(13)7(10(17)18)4-5-15-9/h4-5H,6H2,1-3H3,(H,14,19)(H,15,16)(H,17,18).
What are the key properties of 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid?
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid has a molecular weight of 269.28 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 106278197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).