6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C19H19N5O2S — CID 133333545

IUPAC6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCOc1cccc(C2CCCN2c2ccc(C(=O)Nc3nncs3)cn2)c1
InChIInChI=1S/C19H19N5O2S/c1-26-15-5-2-4-13(10-15)16-6-3-9-24(16)17-8-7-14(11-20-17)18(25)22-19-23-21-12-27-19/h2,4-5,7-8,10-12,16H,3,6,9H2,1H3,(H,22,23,25)
InChIKeyMEZVUUZULCPCIT-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.54
Rot. Bonds5

About 6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133333545) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133333545
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCOc1cccc(C2CCCN2c2ccc(C(=O)Nc3nncs3)cn2)c1
InChIInChI=1S/C19H19N5O2S/c1-26-15-5-2-4-13(10-15)16-6-3-9-24(16)17-8-7-14(11-20-17)18(25)22-19-23-21-12-27-19/h2,4-5,7-8,10-12,16H,3,6,9H2,1H3,(H,22,23,25)
InChIKeyMEZVUUZULCPCIT-UHFFFAOYSA-N
XLogP3.54
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,3-dimethylpyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133357725
6-(3-methoxypiperidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329253
6-(4-tert-butylazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339739
6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide
CID 133345289
methyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate
CID 97064012
N-ethyl-6-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 129481990
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]quinoline
CID 133331422
6-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 97327728
N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-3-carboxamide
CID 154027724
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
6-[3-(butanoylamino)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133354793
6-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339748

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133333545) is 6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is COc1cccc(C2CCCN2c2ccc(C(=O)Nc3nncs3)cn2)c1.
What is the InChIKey of 6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is MEZVUUZULCPCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-26-15-5-2-4-13(10-15)16-6-3-9-24(16)17-8-7-14(11-20-17)18(25)22-19-23-21-12-27-19/h2,4-5,7-8,10-12,16H,3,6,9H2,1H3,(H,22,23,25).
What are the key properties of 6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133333545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).