1-ethyl-6-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid

C21H24N2O4 — CID 131742180

IUPAC1-ethyl-6-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid
SMILESCCN1CC=C(c2ccc(-c3cc(O)c(C(=O)O)c(=O)n3CC)cc2)CC1
InChIInChI=1S/C21H24N2O4/c1-3-22-11-9-15(10-12-22)14-5-7-16(8-6-14)17-13-18(24)19(21(26)27)20(25)23(17)4-2/h5-9,13,24H,3-4,10-12H2,1-2H3,(H,26,27)
InChIKeyKTXXXZGHIANSQL-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.05
Rot. Bonds5

About 1-ethyl-6-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid

1-ethyl-6-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid (PubChem CID 131742180) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-ethyl-6-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid
PubChem CID131742180
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-ethyl-6-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid
SMILESCCN1CC=C(c2ccc(-c3cc(O)c(C(=O)O)c(=O)n3CC)cc2)CC1
InChIInChI=1S/C21H24N2O4/c1-3-22-11-9-15(10-12-22)14-5-7-16(8-6-14)17-13-18(24)19(21(26)27)20(25)23(17)4-2/h5-9,13,24H,3-4,10-12H2,1-2H3,(H,26,27)
InChIKeyKTXXXZGHIANSQL-UHFFFAOYSA-N
XLogP3.05
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-ethyl-6-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid (CID 131742180) is 1-ethyl-6-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-6-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-6-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid is CCN1CC=C(c2ccc(-c3cc(O)c(C(=O)O)c(=O)n3CC)cc2)CC1.
What is the InChIKey of 1-ethyl-6-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid?
The InChIKey is KTXXXZGHIANSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-22-11-9-15(10-12-22)14-5-7-16(8-6-14)17-13-18(24)19(21(26)27)20(25)23(17)4-2/h5-9,13,24H,3-4,10-12H2,1-2H3,(H,26,27).
What are the key properties of 1-ethyl-6-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid?
1-ethyl-6-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid has a molecular weight of 368.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 131742180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).