6-(5-methylthiophen-2-yl)-2-[(5-oxo-1-propylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid

C18H21N3O3S — CID 134712239

IUPAC6-(5-methylthiophen-2-yl)-2-[(5-oxo-1-propylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
SMILESCCCN1CC(Nc2nc(-c3ccc(C)s3)ccc2C(=O)O)CC1=O
InChIInChI=1S/C18H21N3O3S/c1-3-8-21-10-12(9-16(21)22)19-17-13(18(23)24)5-6-14(20-17)15-7-4-11(2)25-15/h4-7,12H,3,8-10H2,1-2H3,(H,19,20)(H,23,24)
InChIKeyXPRROYNWFWSINM-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.24
Rot. Bonds6

About 6-(5-methylthiophen-2-yl)-2-[(5-oxo-1-propylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid

6-(5-methylthiophen-2-yl)-2-[(5-oxo-1-propylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid (PubChem CID 134712239) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 6-(5-methylthiophen-2-yl)-2-[(5-oxo-1-propylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5-methylthiophen-2-yl)-2-[(5-oxo-1-propylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
PubChem CID134712239
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name6-(5-methylthiophen-2-yl)-2-[(5-oxo-1-propylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
SMILESCCCN1CC(Nc2nc(-c3ccc(C)s3)ccc2C(=O)O)CC1=O
InChIInChI=1S/C18H21N3O3S/c1-3-8-21-10-12(9-16(21)22)19-17-13(18(23)24)5-6-14(20-17)15-7-4-11(2)25-15/h4-7,12H,3,8-10H2,1-2H3,(H,19,20)(H,23,24)
InChIKeyXPRROYNWFWSINM-UHFFFAOYSA-N
XLogP3.24
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(5-methylthiophen-2-yl)-2-[(5-oxo-1-propylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one
CID 137342222
2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid
CID 116533656
4-[(3-methyl-5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-yl)amino]-1-propylpyrrolidin-2-one
CID 72920782
2-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid
CID 97148782
(4R)-4-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one
CID 95867454
6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carboxylic acid
CID 82124982
5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 42527641
(4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 97444975
(4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one
CID 95875756
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
N-[4-[2-oxo-2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]amino]ethyl]phenyl]butanamide
CID 95046973
6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 134714748

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylthiophen-2-yl)-2-[(5-oxo-1-propylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-(5-methylthiophen-2-yl)-2-[(5-oxo-1-propylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid (CID 134712239) is 6-(5-methylthiophen-2-yl)-2-[(5-oxo-1-propylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(5-methylthiophen-2-yl)-2-[(5-oxo-1-propylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(5-methylthiophen-2-yl)-2-[(5-oxo-1-propylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid is CCCN1CC(Nc2nc(-c3ccc(C)s3)ccc2C(=O)O)CC1=O.
What is the InChIKey of 6-(5-methylthiophen-2-yl)-2-[(5-oxo-1-propylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is XPRROYNWFWSINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-3-8-21-10-12(9-16(21)22)19-17-13(18(23)24)5-6-14(20-17)15-7-4-11(2)25-15/h4-7,12H,3,8-10H2,1-2H3,(H,19,20)(H,23,24).
What are the key properties of 6-(5-methylthiophen-2-yl)-2-[(5-oxo-1-propylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid?
6-(5-methylthiophen-2-yl)-2-[(5-oxo-1-propylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 359.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylthiophen-2-yl)-2-[(5-oxo-1-propylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 134712239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).