5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide

C12H18FN3O2 — CID 114035058

IUPAC5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(F)cc1C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C12H18FN3O2/c1-12(2,18)7-16(4)11(17)9-5-8(13)6-15-10(9)14-3/h5-6,18H,7H2,1-4H3,(H,14,15)
InChIKeyPSYKFYJLOAYAAN-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.11
Rot. Bonds4

About 5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide

5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide (PubChem CID 114035058) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide
PubChem CID114035058
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(F)cc1C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C12H18FN3O2/c1-12(2,18)7-16(4)11(17)9-5-8(13)6-15-10(9)14-3/h5-6,18H,7H2,1-4H3,(H,14,15)
InChIKeyPSYKFYJLOAYAAN-UHFFFAOYSA-N
XLogP1.11
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide (CID 114035058) is 5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide is CNc1ncc(F)cc1C(=O)N(C)CC(C)(C)O.
What is the InChIKey of 5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is PSYKFYJLOAYAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-12(2,18)7-16(4)11(17)9-5-8(13)6-15-10(9)14-3/h5-6,18H,7H2,1-4H3,(H,14,15).
What are the key properties of 5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide?
5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 255.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 114035058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).