2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid

C21H21Cl2N3O7 — CID 58238055

IUPAC2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(C(=O)NC2CCCC2)c(=O)n(Cc2ccc(Cl)cc2Cl)c1O
InChIInChI=1S/C21H21Cl2N3O7/c22-11-6-5-10(13(23)7-11)9-26-20(32)15(18(30)24-8-14(27)28)17(29)16(21(26)33)19(31)25-12-3-1-2-4-12/h5-7,12,29,32H,1-4,8-9H2,(H,24,30)(H,25,31)(H,27,28)
InChIKeyQTHYDQBSPLJJOO-UHFFFAOYSA-N
MW498.32 g/mol
LogP2.10
Rot. Bonds7

About 2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid

2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid (PubChem CID 58238055) has the molecular formula C21H21Cl2N3O7 and a molecular weight of 498.32 g/mol. Its IUPAC name is 2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
PubChem CID58238055
Molecular FormulaC21H21Cl2N3O7
Molecular Weight498.32 g/mol
Exact Mass497.08
IUPAC Name2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(C(=O)NC2CCCC2)c(=O)n(Cc2ccc(Cl)cc2Cl)c1O
InChIInChI=1S/C21H21Cl2N3O7/c22-11-6-5-10(13(23)7-11)9-26-20(32)15(18(30)24-8-14(27)28)17(29)16(21(26)33)19(31)25-12-3-1-2-4-12/h5-7,12,29,32H,1-4,8-9H2,(H,24,30)(H,25,31)(H,27,28)
InChIKeyQTHYDQBSPLJJOO-UHFFFAOYSA-N
XLogP2.10
TPSA157.96 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.32
LogP ≤ 52.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[5-(cyclopropylmethylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238170
2-[[1-[(2-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetate
CID 58237987
2-[[5-(cyclohexylcarbamoyl)-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238037
2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 54739149
2-[[1-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24830878
1-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea
CID 35592061
N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide
CID 78978000
1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea
CID 100744347
2-[[1-[(3-chlorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrothieno[3,4-b]pyridine-3-carbonyl]amino]acetic acid
CID 54747846
N-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide
CID 39991988
2-[[2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-hydroxyphenyl)-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 135914602
2-[[1-[(3,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrothieno[3,4-b]pyridine-3-carbonyl]amino]acetic acid
CID 54747856

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid (CID 58238055) is 2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)c(C(=O)NC2CCCC2)c(=O)n(Cc2ccc(Cl)cc2Cl)c1O.
What is the InChIKey of 2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid?
The InChIKey is QTHYDQBSPLJJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O7/c22-11-6-5-10(13(23)7-11)9-26-20(32)15(18(30)24-8-14(27)28)17(29)16(21(26)33)19(31)25-12-3-1-2-4-12/h5-7,12,29,32H,1-4,8-9H2,(H,24,30)(H,25,31)(H,27,28).
What are the key properties of 2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid?
2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid has a molecular weight of 498.32 g/mol, XLogP of 2.10, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 58238055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).