6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide

C18H16FN3O2S — CID 54674404

IUPAC6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(COc2cccc(F)c2)nc1)c1nccs1
InChIInChI=1S/C18H16FN3O2S/c1-12(18-20-7-8-25-18)22-17(23)13-5-6-15(21-10-13)11-24-16-4-2-3-14(19)9-16/h2-10,12H,11H2,1H3,(H,22,23)
InChIKeyANXXNJHGHSXCBJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.75
Rot. Bonds6

About 6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide

6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 54674404) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID54674404
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(COc2cccc(F)c2)nc1)c1nccs1
InChIInChI=1S/C18H16FN3O2S/c1-12(18-20-7-8-25-18)22-17(23)13-5-6-15(21-10-13)11-24-16-4-2-3-14(19)9-16/h2-10,12H,11H2,1H3,(H,22,23)
InChIKeyANXXNJHGHSXCBJ-UHFFFAOYSA-N
XLogP3.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 58533730
6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide
CID 58533769
N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide
CID 58533707
6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63612917
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 47063190
3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 143210996
N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 95153133
3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107030826
4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901485
N-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46643901
5,6-dichloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63612580
1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea
CID 97218961

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide (CID 54674404) is 6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1ccc(COc2cccc(F)c2)nc1)c1nccs1.
What is the InChIKey of 6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is ANXXNJHGHSXCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-12(18-20-7-8-25-18)22-17(23)13-5-6-15(21-10-13)11-24-16-4-2-3-14(19)9-16/h2-10,12H,11H2,1H3,(H,22,23).
What are the key properties of 6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 54674404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).