6-[2-[(cyclopentylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride

C23H28ClN3O4 — CID 71285410

IUPAC6-[2-[(cyclopentylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
SMILESCCc1c(-c2ccc3c(c2)cc(CNC2CCCC2)n3C)[nH]c(=O)c(C(=O)O)c1O.Cl
InChIInChI=1S/C23H27N3O4.ClH/c1-3-17-20(25-22(28)19(21(17)27)23(29)30)13-8-9-18-14(10-13)11-16(26(18)2)12-24-15-6-4-5-7-15;/h8-11,15,24H,3-7,12H2,1-2H3,(H,29,30)(H2,25,27,28);1H
InChIKeyYKHCMFKZEFNVSB-UHFFFAOYSA-N
MW445.95 g/mol
LogP3.95
Rot. Bonds6

About 6-[2-[(cyclopentylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride

6-[2-[(cyclopentylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride (PubChem CID 71285410) has the molecular formula C23H28ClN3O4 and a molecular weight of 445.95 g/mol. Its IUPAC name is 6-[2-[(cyclopentylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-[2-[(cyclopentylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
PubChem CID71285410
Molecular FormulaC23H28ClN3O4
Molecular Weight445.95 g/mol
Exact Mass445.18
IUPAC Name6-[2-[(cyclopentylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
SMILESCCc1c(-c2ccc3c(c2)cc(CNC2CCCC2)n3C)[nH]c(=O)c(C(=O)O)c1O.Cl
InChIInChI=1S/C23H27N3O4.ClH/c1-3-17-20(25-22(28)19(21(17)27)23(29)30)13-8-9-18-14(10-13)11-16(26(18)2)12-24-15-6-4-5-7-15;/h8-11,15,24H,3-7,12H2,1-2H3,(H,29,30)(H2,25,27,28);1H
InChIKeyYKHCMFKZEFNVSB-UHFFFAOYSA-N
XLogP3.95
TPSA107.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-ethyl-4-hydroxy-6-[1-methyl-2-[[2-(trifluoromethyl)piperidin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
CID 145032347
6-[2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
CID 118951030
5-ethyl-4-hydroxy-6-[1-methyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284339
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
5-ethyl-4-hydroxy-6-[1-methyl-2-[[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284821
6-[2-[[(3aR,4R,7aS)-4-(dimethylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;dihydrochloride
CID 118951633
6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71282046
9-[(cyclobutylamino)methyl]-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid;hydrochloride
CID 118865373
5-ethyl-4-hydroxy-6-[2-[[2-methoxyethyl(methyl)amino]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71285097

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(cyclopentylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 6-[2-[(cyclopentylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride (CID 71285410) is 6-[2-[(cyclopentylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-[2-[(cyclopentylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6-[2-[(cyclopentylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride is CCc1c(-c2ccc3c(c2)cc(CNC2CCCC2)n3C)[nH]c(=O)c(C(=O)O)c1O.Cl.
What is the InChIKey of 6-[2-[(cyclopentylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is YKHCMFKZEFNVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4.ClH/c1-3-17-20(25-22(28)19(21(17)27)23(29)30)13-8-9-18-14(10-13)11-16(26(18)2)12-24-15-6-4-5-7-15;/h8-11,15,24H,3-7,12H2,1-2H3,(H,29,30)(H2,25,27,28);1H.
What are the key properties of 6-[2-[(cyclopentylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
6-[2-[(cyclopentylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 445.95 g/mol, XLogP of 3.95, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(cyclopentylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 71285410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).