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

C19H19N3O3 — CID 122054063

IUPAC6-[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC2CC(=O)N(C3CC3c3ccccc3)C2)n1
InChIInChI=1S/C19H19N3O3/c23-18-9-13(20-17-8-4-7-15(21-17)19(24)25)11-22(18)16-10-14(16)12-5-2-1-3-6-12/h1-8,13-14,16H,9-11H2,(H,20,21)(H,24,25)
InChIKeyBQYPGSWQAPZHNO-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.35
Rot. Bonds5

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

6-[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid (PubChem CID 122054063) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
PubChem CID122054063
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name6-[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC2CC(=O)N(C3CC3c3ccccc3)C2)n1
InChIInChI=1S/C19H19N3O3/c23-18-9-13(20-17-8-4-7-15(21-17)19(24)25)11-22(18)16-10-14(16)12-5-2-1-3-6-12/h1-8,13-14,16H,9-11H2,(H,20,21)(H,24,25)
InChIKeyBQYPGSWQAPZHNO-UHFFFAOYSA-N
XLogP2.35
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]methyl]benzoic acid
CID 122031637
1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea
CID 124507736
N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119342635
(4R)-4-amino-1-[(1R,2S)-2-phenylcyclopropyl]pyrrolidin-2-one
CID 94003407
cis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 124865903
6-[[3-(3-fluorophenyl)cyclobutyl]amino]pyridine-2-carboxylic acid
CID 122057127
5-(2-fluorophenyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 154841420
6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid
CID 122058210
4-(aminomethyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride
CID 120936806
6-[(2-methylcyclopropyl)amino]pyridine-2-carboxylic acid
CID 62409955
4-(chloromethyl)-1-(2-phenylcyclopropyl)pyrrolidin-2-one
CID 168506461
4-[(2-fluoro-4-pyridin-4-ylphenyl)methylamino]-1-(2-phenylcyclopropyl)pyrrolidin-2-one
CID 166200491

Frequently Asked Questions

What is the IUPAC name of 6-[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid (CID 122054063) is 6-[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NC2CC(=O)N(C3CC3c3ccccc3)C2)n1.
What is the InChIKey of 6-[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is BQYPGSWQAPZHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-18-9-13(20-17-8-4-7-15(21-17)19(24)25)11-22(18)16-10-14(16)12-5-2-1-3-6-12/h1-8,13-14,16H,9-11H2,(H,20,21)(H,24,25).
What are the key properties of 6-[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid?
6-[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122054063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).