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

C20H19Cl2N3O7 — CID 58238170

IUPAC2-[[5-(cyclopropylmethylcarbamoyl)-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)NCC2CC2)c(=O)n(Cc2ccc(Cl)cc2Cl)c1O
InChIInChI=1S/C20H19Cl2N3O7/c21-11-4-3-10(12(22)5-11)8-25-19(31)14(17(29)23-6-9-1-2-9)16(28)15(20(25)32)18(30)24-7-13(26)27/h3-5,9,28,32H,1-2,6-8H2,(H,23,29)(H,24,30)(H,26,27)
InChIKeyVAPRMFZNUVBIPA-UHFFFAOYSA-N
MW484.29 g/mol
LogP1.57
Rot. Bonds8

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

2-[[5-(cyclopropylmethylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid (PubChem CID 58238170) has the molecular formula C20H19Cl2N3O7 and a molecular weight of 484.29 g/mol. Its IUPAC name is 2-[[5-(cyclopropylmethylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(cyclopropylmethylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
PubChem CID58238170
Molecular FormulaC20H19Cl2N3O7
Molecular Weight484.29 g/mol
Exact Mass483.06
IUPAC Name2-[[5-(cyclopropylmethylcarbamoyl)-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)NCC2CC2)c(=O)n(Cc2ccc(Cl)cc2Cl)c1O
InChIInChI=1S/C20H19Cl2N3O7/c21-11-4-3-10(12(22)5-11)8-25-19(31)14(17(29)23-6-9-1-2-9)16(28)15(20(25)32)18(30)24-7-13(26)27/h3-5,9,28,32H,1-2,6-8H2,(H,23,29)(H,24,30)(H,26,27)
InChIKeyVAPRMFZNUVBIPA-UHFFFAOYSA-N
XLogP1.57
TPSA157.96 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.29
LogP ≤ 51.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238055
(4-chlorophenyl)methanamine;2-[[1-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
CID 67105909
2-[[1-[(2-chlorophenyl)methyl]-2,4-dihydroxy-6-oxo-5-(pyridin-4-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid
CID 58238073
2-[[1-cyclohexyl-5-(cyclopropylmethylcarbamoyl)-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238080
2-[[1-[(2-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetate
CID 58237987
2-[[5-(cyclohexylcarbamoyl)-2,4-dihydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid
CID 58238111
2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 54739149
2-[[1-[(3-chlorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrothieno[3,4-b]pyridine-3-carbonyl]amino]acetic acid
CID 54747846
2-[[4-hydroxy-2-oxo-1-[(2,4,5-trifluorophenyl)methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
CID 118981731
2-[[7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 118934735
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
2-[[2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-hydroxyphenyl)-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 135914602

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclopropylmethylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(cyclopropylmethylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid (CID 58238170) is 2-[[5-(cyclopropylmethylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(cyclopropylmethylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(cyclopropylmethylcarbamoyl)-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)NCC2CC2)c(=O)n(Cc2ccc(Cl)cc2Cl)c1O.
What is the InChIKey of 2-[[5-(cyclopropylmethylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid?
The InChIKey is VAPRMFZNUVBIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O7/c21-11-4-3-10(12(22)5-11)8-25-19(31)14(17(29)23-6-9-1-2-9)16(28)15(20(25)32)18(30)24-7-13(26)27/h3-5,9,28,32H,1-2,6-8H2,(H,23,29)(H,24,30)(H,26,27).
What are the key properties of 2-[[5-(cyclopropylmethylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid?
2-[[5-(cyclopropylmethylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid has a molecular weight of 484.29 g/mol, XLogP of 1.57, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(cyclopropylmethylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 58238170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).