6-[4-[2-(dimethylamino)ethylamino]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid

C18H23N3O3 — CID 71281971

IUPAC6-[4-[2-(dimethylamino)ethylamino]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(NCCN(C)C)cc1
InChIInChI=1S/C18H23N3O3/c1-4-12-11-15(18(23)24)17(22)20-16(12)13-5-7-14(8-6-13)19-9-10-21(2)3/h5-8,11,19H,4,9-10H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyAPMTWBNNNDZDOH-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.28
Rot. Bonds7

About 6-[4-[2-(dimethylamino)ethylamino]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid

6-[4-[2-(dimethylamino)ethylamino]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71281971) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-[4-[2-(dimethylamino)ethylamino]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[2-(dimethylamino)ethylamino]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71281971
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name6-[4-[2-(dimethylamino)ethylamino]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(NCCN(C)C)cc1
InChIInChI=1S/C18H23N3O3/c1-4-12-11-15(18(23)24)17(22)20-16(12)13-5-7-14(8-6-13)19-9-10-21(2)3/h5-8,11,19H,4,9-10H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyAPMTWBNNNDZDOH-UHFFFAOYSA-N
XLogP2.28
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71282056
6-(4-aminophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 89421782
5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281958
5-ethyl-2-oxo-6-(4-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
CID 71281835
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
2-[4-[2-(dimethylamino)ethylamino]phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 69258409
5-ethyl-6-[4-[methyl-[2-(oxan-2-yloxy)ethyl]amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281947
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
2-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid;2-(4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 158576991
5-ethyl-2-oxo-6-[4-(3-oxo-2-azaspiro[4.5]decan-2-yl)phenyl]-1H-pyridine-3-carboxylic acid
CID 71281809
6-[2-(diethylaminomethyl)imidazo[1,2-a]pyridin-6-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71292123
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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(dimethylamino)ethylamino]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-[2-(dimethylamino)ethylamino]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 71281971) is 6-[4-[2-(dimethylamino)ethylamino]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[2-(dimethylamino)ethylamino]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-[2-(dimethylamino)ethylamino]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid is CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(NCCN(C)C)cc1.
What is the InChIKey of 6-[4-[2-(dimethylamino)ethylamino]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is APMTWBNNNDZDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-12-11-15(18(23)24)17(22)20-16(12)13-5-7-14(8-6-13)19-9-10-21(2)3/h5-8,11,19H,4,9-10H2,1-3H3,(H,20,22)(H,23,24).
What are the key properties of 6-[4-[2-(dimethylamino)ethylamino]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
6-[4-[2-(dimethylamino)ethylamino]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(dimethylamino)ethylamino]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71281971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).