3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide

C13H18FN3O2 — CID 105386978

IUPAC3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NC2CCOC2)c1F
InChIInChI=1S/C13H18FN3O2/c1-2-5-15-12-11(14)10(3-6-16-12)13(18)17-9-4-7-19-8-9/h3,6,9H,2,4-5,7-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyJSWJXNGAXQHARS-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.56
Rot. Bonds5

About 3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide

3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide (PubChem CID 105386978) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide
PubChem CID105386978
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NC2CCOC2)c1F
InChIInChI=1S/C13H18FN3O2/c1-2-5-15-12-11(14)10(3-6-16-12)13(18)17-9-4-7-19-8-9/h3,6,9H,2,4-5,7-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyJSWJXNGAXQHARS-UHFFFAOYSA-N
XLogP1.56
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-hydrazinyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 105388506
N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384727
N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387527
N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384839
N-(2-cyclopropylpropyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387388
3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105384157
3-fluoro-N-(1-methylcyclopentyl)-2-(propylamino)pyridine-4-carboxamide
CID 105386620
[3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 105386116
N-[2-(ethylamino)-2-oxoethyl]-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384867
N-(oxan-4-yl)-4-(propylamino)pyridine-2-carboxamide
CID 55046881
3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide
CID 105387416
3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide
CID 105385116

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide (CID 105386978) is 3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide is CCCNc1nccc(C(=O)NC2CCOC2)c1F.
What is the InChIKey of 3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is JSWJXNGAXQHARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-2-5-15-12-11(14)10(3-6-16-12)13(18)17-9-4-7-19-8-9/h3,6,9H,2,4-5,7-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide?
3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105386978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).