3-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide

C16H17FN2O2S — CID 46993490

IUPAC3-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(c1ccncc1F)N(Cc1ccsc1)CC1CCCO1
InChIInChI=1S/C16H17FN2O2S/c17-15-8-18-5-3-14(15)16(20)19(9-12-4-7-22-11-12)10-13-2-1-6-21-13/h3-5,7-8,11,13H,1-2,6,9-10H2
InChIKeyZPKIHGGKBMYSMT-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.10
Rot. Bonds5

About 3-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide

3-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 46993490) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
PubChem CID46993490
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name3-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(c1ccncc1F)N(Cc1ccsc1)CC1CCCO1
InChIInChI=1S/C16H17FN2O2S/c17-15-8-18-5-3-14(15)16(20)19(9-12-4-7-22-11-12)10-13-2-1-6-21-13/h3-5,7-8,11,13H,1-2,6,9-10H2
InChIKeyZPKIHGGKBMYSMT-UHFFFAOYSA-N
XLogP3.10
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 3242080
N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211273
N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 668940
3-pyridin-3-yl-N-(tetrahydrofuran-2-ylmethyl)-N-(3-thienylmethyl)propanamide
CID 46991816
3-ethyl-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 51101798
N-{2-[4-(Pyridin-3-ylmethyl)morpholin-2-YL]ethyl}thiophene-3-carboxamide
CID 56708510
[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-2-ylmethanone
CID 97419529
1-[(2S,3R)-3-methoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 97470211
[(2S,3S)-3-(2-methoxyethoxy)-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 97470827
[11-(Pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-thiophen-3-ylmethanone
CID 97502642
[(5aR,9aS)-8-(pyridin-2-ylmethyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-4-yl]-thiophen-3-ylmethanone
CID 97511628
[9-(Pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone
CID 98776811

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide (CID 46993490) is 3-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide is O=C(c1ccncc1F)N(Cc1ccsc1)CC1CCCO1.
What is the InChIKey of 3-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is ZPKIHGGKBMYSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-15-8-18-5-3-14(15)16(20)19(9-12-4-7-22-11-12)10-13-2-1-6-21-13/h3-5,7-8,11,13H,1-2,6,9-10H2.
What are the key properties of 3-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide?
3-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 46993490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).