2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-5-fluoropyridine-3-carboxylic acid

C12H16FN3O3 — CID 106278118

IUPAC2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-5-fluoropyridine-3-carboxylic acid
SMILESCNC(=O)C(C)(C)CNc1ncc(F)cc1C(=O)O
InChIInChI=1S/C12H16FN3O3/c1-12(2,11(19)14-3)6-16-9-8(10(17)18)4-7(13)5-15-9/h4-5H,6H2,1-3H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyLXBMCQSVTMKVMO-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.10
Rot. Bonds5

About 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-5-fluoropyridine-3-carboxylic acid

2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-5-fluoropyridine-3-carboxylic acid (PubChem CID 106278118) 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]-5-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-5-fluoropyridine-3-carboxylic acid
PubChem CID106278118
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-5-fluoropyridine-3-carboxylic acid
SMILESCNC(=O)C(C)(C)CNc1ncc(F)cc1C(=O)O
InChIInChI=1S/C12H16FN3O3/c1-12(2,11(19)14-3)6-16-9-8(10(17)18)4-7(13)5-15-9/h4-5H,6H2,1-3H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyLXBMCQSVTMKVMO-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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Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-5-fluoropyridine-3-carboxylic acid?
The IUPAC name of 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-5-fluoropyridine-3-carboxylic acid (CID 106278118) is 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-5-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-5-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-5-fluoropyridine-3-carboxylic acid is CNC(=O)C(C)(C)CNc1ncc(F)cc1C(=O)O.
What is the InChIKey of 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-5-fluoropyridine-3-carboxylic acid?
The InChIKey is LXBMCQSVTMKVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-12(2,11(19)14-3)6-16-9-8(10(17)18)4-7(13)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]-5-fluoropyridine-3-carboxylic acid?
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-5-fluoropyridine-3-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]-5-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 106278118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).