6-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid

C18H22N4O4 — CID 71285211

IUPAC6-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1c(-c2ccc(N3CCC(N(C)C)C3)cn2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C18H22N4O4/c1-10-15(20-17(24)14(16(10)23)18(25)26)13-5-4-11(8-19-13)22-7-6-12(9-22)21(2)3/h4-5,8,12H,6-7,9H2,1-3H3,(H,25,26)(H2,20,23,24)
InChIKeyUGGSYVKJIGTUQE-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.29
Rot. Bonds4

About 6-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid

6-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71285211) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 6-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71285211
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name6-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1c(-c2ccc(N3CCC(N(C)C)C3)cn2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C18H22N4O4/c1-10-15(20-17(24)14(16(10)23)18(25)26)13-5-4-11(8-19-13)22-7-6-12(9-22)21(2)3/h4-5,8,12H,6-7,9H2,1-3H3,(H,25,26)(H2,20,23,24)
InChIKeyUGGSYVKJIGTUQE-UHFFFAOYSA-N
XLogP1.29
TPSA109.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 71285211) is 6-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is Cc1c(-c2ccc(N3CCC(N(C)C)C3)cn2)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 6-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is UGGSYVKJIGTUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-10-15(20-17(24)14(16(10)23)18(25)26)13-5-4-11(8-19-13)22-7-6-12(9-22)21(2)3/h4-5,8,12H,6-7,9H2,1-3H3,(H,25,26)(H2,20,23,24).
What are the key properties of 6-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
6-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 358.40 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71285211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).