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

C21H19FN4O3S — CID 110264472

IUPAC6-[1-[2-(2-fluorophenoxy)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nccs1)c1ccc(C2CCCN2C(=O)COc2ccccc2F)nc1
InChIInChI=1S/C21H19FN4O3S/c22-15-4-1-2-6-18(15)29-13-19(27)26-10-3-5-17(26)16-8-7-14(12-24-16)20(28)25-21-23-9-11-30-21/h1-2,4,6-9,11-12,17H,3,5,10,13H2,(H,23,25,28)
InChIKeyUMCDNAPSLJCTCK-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.67
Rot. Bonds6

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

6-[1-[2-(2-fluorophenoxy)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 110264472) has the molecular formula C21H19FN4O3S and a molecular weight of 426.47 g/mol. Its IUPAC name is 6-[1-[2-(2-fluorophenoxy)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-[2-(2-fluorophenoxy)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID110264472
Molecular FormulaC21H19FN4O3S
Molecular Weight426.47 g/mol
Exact Mass426.12
IUPAC Name6-[1-[2-(2-fluorophenoxy)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nccs1)c1ccc(C2CCCN2C(=O)COc2ccccc2F)nc1
InChIInChI=1S/C21H19FN4O3S/c22-15-4-1-2-6-18(15)29-13-19(27)26-10-3-5-17(26)16-8-7-14(12-24-16)20(28)25-21-23-9-11-30-21/h1-2,4,6-9,11-12,17H,3,5,10,13H2,(H,23,25,28)
InChIKeyUMCDNAPSLJCTCK-UHFFFAOYSA-N
XLogP3.67
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 92623632
6-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 92623199
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 92612861
1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 40815012
2-(2-fluorophenoxy)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124965516
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 86951335
6-[1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 110264374
6-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 66509656
2-(2-fluorophenoxy)-1-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110118435
1-[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 95832698
1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 78864863
6-piperidin-4-yl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 110085479

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(2-fluorophenoxy)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[1-[2-(2-fluorophenoxy)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 110264472) is 6-[1-[2-(2-fluorophenoxy)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[1-[2-(2-fluorophenoxy)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[1-[2-(2-fluorophenoxy)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nccs1)c1ccc(C2CCCN2C(=O)COc2ccccc2F)nc1.
What is the InChIKey of 6-[1-[2-(2-fluorophenoxy)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is UMCDNAPSLJCTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3S/c22-15-4-1-2-6-18(15)29-13-19(27)26-10-3-5-17(26)16-8-7-14(12-24-16)20(28)25-21-23-9-11-30-21/h1-2,4,6-9,11-12,17H,3,5,10,13H2,(H,23,25,28).
What are the key properties of 6-[1-[2-(2-fluorophenoxy)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
6-[1-[2-(2-fluorophenoxy)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(2-fluorophenoxy)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 110264472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).