3-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-4-carboxamide

C16H17FN2O2S — CID 134161548

IUPAC3-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NC(c1cccs1)C1CCOCC1)c1ccncc1F
InChIInChI=1S/C16H17FN2O2S/c17-13-10-18-6-3-12(13)16(20)19-15(14-2-1-9-22-14)11-4-7-21-8-5-11/h1-3,6,9-11,15H,4-5,7-8H2,(H,19,20)
InChIKeyJWYFNPOMLMAGGD-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.18
Rot. Bonds4

About 3-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-4-carboxamide

3-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 134161548) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-4-carboxamide
PubChem CID134161548
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name3-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NC(c1cccs1)C1CCOCC1)c1ccncc1F
InChIInChI=1S/C16H17FN2O2S/c17-13-10-18-6-3-12(13)16(20)19-15(14-2-1-9-22-14)11-4-7-21-8-5-11/h1-3,6,9-11,15H,4-5,7-8H2,(H,19,20)
InChIKeyJWYFNPOMLMAGGD-UHFFFAOYSA-N
XLogP3.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide
CID 134161547
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide
CID 128988103
4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide
CID 81228997
N-[oxan-4-yl(thiophen-2-yl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 134161833
N-[oxan-4-yl(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 126853665
2,4,6-trimethyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzamide
CID 126855328
5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 126853656
N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 115769013
3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645421
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 39612382
1-(2-methylphenyl)-3-[oxan-4-yl(thiophen-2-yl)methyl]urea
CID 134161746
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea
CID 94120635

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-4-carboxamide (CID 134161548) is 3-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-4-carboxamide is O=C(NC(c1cccs1)C1CCOCC1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is JWYFNPOMLMAGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-13-10-18-6-3-12(13)16(20)19-15(14-2-1-9-22-14)11-4-7-21-8-5-11/h1-3,6,9-11,15H,4-5,7-8H2,(H,19,20).
What are the key properties of 3-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-4-carboxamide?
3-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 134161548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).