6-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide

C22H21FN4O2S — CID 92623632

IUPAC6-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nccs1)c1ccc([C@H]2CCCN2C(=O)CCc2ccc(F)cc2)nc1
InChIInChI=1S/C22H21FN4O2S/c23-17-7-3-15(4-8-17)5-10-20(28)27-12-1-2-19(27)18-9-6-16(14-25-18)21(29)26-22-24-11-13-30-22/h3-4,6-9,11,13-14,19H,1-2,5,10,12H2,(H,24,26,29)/t19-/m1/s1
InChIKeyAWGQLYFWISYNRD-LJQANCHMSA-N
MW424.50 g/mol
LogP4.23
Rot. Bonds6

About 6-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide

6-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 92623632) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is 6-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID92623632
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC Name6-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nccs1)c1ccc([C@H]2CCCN2C(=O)CCc2ccc(F)cc2)nc1
InChIInChI=1S/C22H21FN4O2S/c23-17-7-3-15(4-8-17)5-10-20(28)27-12-1-2-19(27)18-9-6-16(14-25-18)21(29)26-22-24-11-13-30-22/h3-4,6-9,11,13-14,19H,1-2,5,10,12H2,(H,24,26,29)/t19-/m1/s1
InChIKeyAWGQLYFWISYNRD-LJQANCHMSA-N
XLogP4.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-[2-(2-fluorophenoxy)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 110264472
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
6-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 66509656
6-piperidin-4-yl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 110085479
6-[1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 110264374
3-(4-fluorophenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104424
1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 78864863
1-[3-(3-methylphenyl)propanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 154802314
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 47019585
N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268965
1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110254562
N-cyclohexyl-4-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 92640451

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 92623632) is 6-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nccs1)c1ccc([C@H]2CCCN2C(=O)CCc2ccc(F)cc2)nc1.
What is the InChIKey of 6-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is AWGQLYFWISYNRD-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c23-17-7-3-15(4-8-17)5-10-20(28)27-12-1-2-19(27)18-9-6-16(14-25-18)21(29)26-22-24-11-13-30-22/h3-4,6-9,11,13-14,19H,1-2,5,10,12H2,(H,24,26,29)/t19-/m1/s1.
What are the key properties of 6-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
6-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 92623632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).