6-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]pyridine-2-carboxylic acid

C18H19N3O3 — CID 122053307

IUPAC6-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]pyridine-2-carboxylic acid
SMILESCC(Nc1cccc(C(=O)O)n1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H19N3O3/c1-12(19-16-8-3-7-15(20-16)18(23)24)13-5-2-6-14(11-13)21-10-4-9-17(21)22/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,19,20)(H,23,24)
InChIKeyHDKNDBORGUGQJJ-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.08
Rot. Bonds5

About 6-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]pyridine-2-carboxylic acid

6-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]pyridine-2-carboxylic acid (PubChem CID 122053307) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]pyridine-2-carboxylic acid
PubChem CID122053307
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name6-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]pyridine-2-carboxylic acid
SMILESCC(Nc1cccc(C(=O)O)n1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H19N3O3/c1-12(19-16-8-3-7-15(20-16)18(23)24)13-5-2-6-14(11-13)21-10-4-9-17(21)22/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,19,20)(H,23,24)
InChIKeyHDKNDBORGUGQJJ-UHFFFAOYSA-N
XLogP3.08
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307558
2-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119307539
3-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide
CID 119755987
1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one
CID 133284309
1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119755966
2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119756000
2-(cyclopropylmethylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
CID 119755997
2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyridine-3-carboxamide
CID 60590019
(2S)-2-amino-4-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pentanamide;hydrochloride
CID 119756026
1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one
CID 124692957
N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132654676
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide
CID 121052835

Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]pyridine-2-carboxylic acid (CID 122053307) is 6-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]pyridine-2-carboxylic acid is CC(Nc1cccc(C(=O)O)n1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 6-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]pyridine-2-carboxylic acid?
The InChIKey is HDKNDBORGUGQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12(19-16-8-3-7-15(20-16)18(23)24)13-5-2-6-14(11-13)21-10-4-9-17(21)22/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,19,20)(H,23,24).
What are the key properties of 6-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]pyridine-2-carboxylic acid?
6-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]pyridine-2-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).