4-hydroxy-5-methyl-6-[1-methyl-2-[(2-methylpropylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

C21H25N3O4 — CID 71284679

IUPAC4-hydroxy-5-methyl-6-[1-methyl-2-[(2-methylpropylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1c(-c2ccc3c(c2)cc(CNCC(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C21H25N3O4/c1-11(2)9-22-10-15-8-14-7-13(5-6-16(14)24(15)4)18-12(3)19(25)17(21(27)28)20(26)23-18/h5-8,11,22H,9-10H2,1-4H3,(H,27,28)(H2,23,25,26)
InChIKeySCNGQLHCLOXMTD-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.99
Rot. Bonds6

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

4-hydroxy-5-methyl-6-[1-methyl-2-[(2-methylpropylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71284679) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-6-[1-methyl-2-[(2-methylpropylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-5-methyl-6-[1-methyl-2-[(2-methylpropylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71284679
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name4-hydroxy-5-methyl-6-[1-methyl-2-[(2-methylpropylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1c(-c2ccc3c(c2)cc(CNCC(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C21H25N3O4/c1-11(2)9-22-10-15-8-14-7-13(5-6-16(14)24(15)4)18-12(3)19(25)17(21(27)28)20(26)23-18/h5-8,11,22H,9-10H2,1-4H3,(H,27,28)(H2,23,25,26)
InChIKeySCNGQLHCLOXMTD-UHFFFAOYSA-N
XLogP2.99
TPSA107.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71282046
5-ethyl-4-hydroxy-6-[1-methyl-2-[(octylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284753
6-hydroxy-14-methyl-15-[(2-methylpropylamino)methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
CID 71285223
5-ethyl-4-hydroxy-6-[1-methyl-2-[[[(1R)-1-phenylethyl]amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71291840
5-ethyl-4-hydroxy-6-[1-methyl-2-[(pyridin-4-ylmethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71285240
6-[2-[(cyclopentylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
CID 71285410
6-[2-[(cyclohexylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
CID 71284126
5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylpiperidin-3-yl)methylamino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;dihydrochloride
CID 89422891
6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 158797935
6-[2-[[cyclopropyl(methyl)amino]methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid
CID 71284783
4-hydroxy-5-methyl-6-(1-methylindazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284595
6-[2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
CID 118951030

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-6-[1-methyl-2-[(2-methylpropylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-hydroxy-5-methyl-6-[1-methyl-2-[(2-methylpropylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 71284679) is 4-hydroxy-5-methyl-6-[1-methyl-2-[(2-methylpropylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-5-methyl-6-[1-methyl-2-[(2-methylpropylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-5-methyl-6-[1-methyl-2-[(2-methylpropylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is Cc1c(-c2ccc3c(c2)cc(CNCC(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 4-hydroxy-5-methyl-6-[1-methyl-2-[(2-methylpropylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is SCNGQLHCLOXMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-11(2)9-22-10-15-8-14-7-13(5-6-16(14)24(15)4)18-12(3)19(25)17(21(27)28)20(26)23-18/h5-8,11,22H,9-10H2,1-4H3,(H,27,28)(H2,23,25,26).
What are the key properties of 4-hydroxy-5-methyl-6-[1-methyl-2-[(2-methylpropylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
4-hydroxy-5-methyl-6-[1-methyl-2-[(2-methylpropylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 383.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-6-[1-methyl-2-[(2-methylpropylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71284679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).