3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide

C13H20FN3O2 — CID 105386525

IUPAC3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide
SMILESCCCC(COC)NC(=O)c1ccnc(NC)c1F
InChIInChI=1S/C13H20FN3O2/c1-4-5-9(8-19-3)17-13(18)10-6-7-16-12(15-2)11(10)14/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyYDVKWRHTECGCGH-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.81
Rot. Bonds7

About 3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide

3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide (PubChem CID 105386525) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide
PubChem CID105386525
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide
SMILESCCCC(COC)NC(=O)c1ccnc(NC)c1F
InChIInChI=1S/C13H20FN3O2/c1-4-5-9(8-19-3)17-13(18)10-6-7-16-12(15-2)11(10)14/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyYDVKWRHTECGCGH-UHFFFAOYSA-N
XLogP1.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)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

Related Compounds

3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide
CID 105385116
3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 105388411
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385912
2-(ethylamino)-3-fluoro-N-(1-methoxy-3-methylbutan-2-yl)pyridine-4-carboxamide
CID 105386649
3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 105386606
N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384594
4-fluoro-2-iodo-N-(1-methoxypentan-2-yl)benzamide
CID 114029293
5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 114923758
3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
CID 105386176
3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818020
3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid
CID 106019558
3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015195

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide (CID 105386525) is 3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide is CCCC(COC)NC(=O)c1ccnc(NC)c1F.
What is the InChIKey of 3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is YDVKWRHTECGCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-4-5-9(8-19-3)17-13(18)10-6-7-16-12(15-2)11(10)14/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide?
3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 269.32 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105386525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).