5-ethyl-6-[4-[3-(methylaminomethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid

C20H25N3O3 — CID 71281867

IUPAC5-ethyl-6-[4-[3-(methylaminomethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCC(CNC)C2)cc1
InChIInChI=1S/C20H25N3O3/c1-3-14-10-17(20(25)26)19(24)22-18(14)15-4-6-16(7-5-15)23-9-8-13(12-23)11-21-2/h4-7,10,13,21H,3,8-9,11-12H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyHSHFXNBCLPOKPO-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.35
Rot. Bonds6

About 5-ethyl-6-[4-[3-(methylaminomethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-6-[4-[3-(methylaminomethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71281867) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-ethyl-6-[4-[3-(methylaminomethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-6-[4-[3-(methylaminomethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71281867
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name5-ethyl-6-[4-[3-(methylaminomethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCC(CNC)C2)cc1
InChIInChI=1S/C20H25N3O3/c1-3-14-10-17(20(25)26)19(24)22-18(14)15-4-6-16(7-5-15)23-9-8-13(12-23)11-21-2/h4-7,10,13,21H,3,8-9,11-12H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyHSHFXNBCLPOKPO-UHFFFAOYSA-N
XLogP2.35
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-oxo-6-[4-(3-pyridin-4-ylpyrrolidin-1-yl)phenyl]-1H-pyridine-3-carboxylic acid
CID 71281895
5-ethyl-2-oxo-6-(4-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
CID 71281835
5-ethyl-2-oxo-6-[4-(3-pyridin-2-ylpyrrolidin-1-yl)phenyl]-1H-pyridine-3-carboxylic acid
CID 71281788
6-[4-[(3aS,6aR)-5-(methylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 71284935
6-[4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 159928365
6-[4-[(4R,6aS)-4-(dimethylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 144545504
6-[4-[(3aR,4R,7aS)-4-(methylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 71281933
(2,2,2-trifluoroacetyl) 6-[4-[3-(diethylamino)pyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylate
CID 89422987
6-[4-[(5S,8aR)-5-(dimethylamino)-3,5,6,7,8,8a-hexahydro-1H-borinino[1,2-c][1,3]azaborol-2-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 144545596
6-(4-aminophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 89421782
N-[[(3S)-1-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 125175762
6-[4-[(3aR,4R,7aS)-4-[benzyl(methyl)amino]-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281883

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[4-[3-(methylaminomethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-6-[4-[3-(methylaminomethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 71281867) is 5-ethyl-6-[4-[3-(methylaminomethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-6-[4-[3-(methylaminomethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-6-[4-[3-(methylaminomethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid is CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCC(CNC)C2)cc1.
What is the InChIKey of 5-ethyl-6-[4-[3-(methylaminomethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is HSHFXNBCLPOKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-14-10-17(20(25)26)19(24)22-18(14)15-4-6-16(7-5-15)23-9-8-13(12-23)11-21-2/h4-7,10,13,21H,3,8-9,11-12H2,1-2H3,(H,22,24)(H,25,26).
What are the key properties of 5-ethyl-6-[4-[3-(methylaminomethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-6-[4-[3-(methylaminomethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 355.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[4-[3-(methylaminomethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71281867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).