3-fluoro-N-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide

C13H18FN3O2 — CID 105387115

IUPAC3-fluoro-N-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)N(C)C2CCOC2C)c1F
InChIInChI=1S/C13H18FN3O2/c1-8-10(5-7-19-8)17(3)13(18)9-4-6-16-12(15-2)11(9)14/h4,6,8,10H,5,7H2,1-3H3,(H,15,16)
InChIKeyYBIATBWYIDSROG-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.51
Rot. Bonds3

About 3-fluoro-N-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide

3-fluoro-N-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide (PubChem CID 105387115) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-fluoro-N-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
PubChem CID105387115
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name3-fluoro-N-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)N(C)C2CCOC2C)c1F
InChIInChI=1S/C13H18FN3O2/c1-8-10(5-7-19-8)17(3)13(18)9-4-6-16-12(15-2)11(9)14/h4,6,8,10H,5,7H2,1-3H3,(H,15,16)
InChIKeyYBIATBWYIDSROG-UHFFFAOYSA-N
XLogP1.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide (CID 105387115) is 3-fluoro-N-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide is CNc1nccc(C(=O)N(C)C2CCOC2C)c1F.
What is the InChIKey of 3-fluoro-N-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide?
The InChIKey is YBIATBWYIDSROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-8-10(5-7-19-8)17(3)13(18)9-4-6-16-12(15-2)11(9)14/h4,6,8,10H,5,7H2,1-3H3,(H,15,16).
What are the key properties of 3-fluoro-N-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide?
3-fluoro-N-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105387115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).