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

C23H29N3O4 — CID 71281837

IUPAC6-[4-[3-[1-(dimethylamino)cyclopropyl]pyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N3CCC(C4(N(C)C)CC4)C3)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C23H29N3O4/c1-4-17-19(24-21(28)18(20(17)27)22(29)30)14-5-7-16(8-6-14)26-12-9-15(13-26)23(10-11-23)25(2)3/h5-8,15H,4,9-13H2,1-3H3,(H,29,30)(H2,24,27,28)
InChIKeyYHQURXODDGBXEK-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.93
Rot. Bonds6

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

6-[4-[3-[1-(dimethylamino)cyclopropyl]pyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71281837) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 6-[4-[3-[1-(dimethylamino)cyclopropyl]pyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[3-[1-(dimethylamino)cyclopropyl]pyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71281837
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name6-[4-[3-[1-(dimethylamino)cyclopropyl]pyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N3CCC(C4(N(C)C)CC4)C3)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C23H29N3O4/c1-4-17-19(24-21(28)18(20(17)27)22(29)30)14-5-7-16(8-6-14)26-12-9-15(13-26)23(10-11-23)25(2)3/h5-8,15H,4,9-13H2,1-3H3,(H,29,30)(H2,24,27,28)
InChIKeyYHQURXODDGBXEK-UHFFFAOYSA-N
XLogP2.93
TPSA96.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-[1-(dimethylamino)cyclopropyl]pyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-[3-[1-(dimethylamino)cyclopropyl]pyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (CID 71281837) is 6-[4-[3-[1-(dimethylamino)cyclopropyl]pyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[3-[1-(dimethylamino)cyclopropyl]pyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-[3-[1-(dimethylamino)cyclopropyl]pyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc(N3CCC(C4(N(C)C)CC4)C3)cc2)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 6-[4-[3-[1-(dimethylamino)cyclopropyl]pyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is YHQURXODDGBXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-4-17-19(24-21(28)18(20(17)27)22(29)30)14-5-7-16(8-6-14)26-12-9-15(13-26)23(10-11-23)25(2)3/h5-8,15H,4,9-13H2,1-3H3,(H,29,30)(H2,24,27,28).
What are the key properties of 6-[4-[3-[1-(dimethylamino)cyclopropyl]pyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
6-[4-[3-[1-(dimethylamino)cyclopropyl]pyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 411.50 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-[1-(dimethylamino)cyclopropyl]pyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71281837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).