2-[[1-[(2-chlorophenyl)methyl]-2,4-dihydroxy-6-oxo-5-(pyridin-4-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid

C21H17ClN4O7 — CID 58238073

IUPAC2-[[1-[(2-chlorophenyl)methyl]-2,4-dihydroxy-6-oxo-5-(pyridin-4-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(C(=O)Nc2ccncc2)c(=O)n(Cc2ccccc2Cl)c1O
InChIInChI=1S/C21H17ClN4O7/c22-13-4-2-1-3-11(13)10-26-20(32)15(18(30)24-9-14(27)28)17(29)16(21(26)33)19(31)25-12-5-7-23-8-6-12/h1-8,29,32H,9-10H2,(H,24,30)(H,27,28)(H,23,25,31)
InChIKeyHHTGIOXARZILEA-UHFFFAOYSA-N
MW472.84 g/mol
LogP1.42
Rot. Bonds7

About 2-[[1-[(2-chlorophenyl)methyl]-2,4-dihydroxy-6-oxo-5-(pyridin-4-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid

2-[[1-[(2-chlorophenyl)methyl]-2,4-dihydroxy-6-oxo-5-(pyridin-4-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid (PubChem CID 58238073) has the molecular formula C21H17ClN4O7 and a molecular weight of 472.84 g/mol. Its IUPAC name is 2-[[1-[(2-chlorophenyl)methyl]-2,4-dihydroxy-6-oxo-5-(pyridin-4-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-[(2-chlorophenyl)methyl]-2,4-dihydroxy-6-oxo-5-(pyridin-4-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid
PubChem CID58238073
Molecular FormulaC21H17ClN4O7
Molecular Weight472.84 g/mol
Exact Mass472.08
IUPAC Name2-[[1-[(2-chlorophenyl)methyl]-2,4-dihydroxy-6-oxo-5-(pyridin-4-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(C(=O)Nc2ccncc2)c(=O)n(Cc2ccccc2Cl)c1O
InChIInChI=1S/C21H17ClN4O7/c22-13-4-2-1-3-11(13)10-26-20(32)15(18(30)24-9-14(27)28)17(29)16(21(26)33)19(31)25-12-5-7-23-8-6-12/h1-8,29,32H,9-10H2,(H,24,30)(H,27,28)(H,23,25,31)
InChIKeyHHTGIOXARZILEA-UHFFFAOYSA-N
XLogP1.42
TPSA170.85 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.84
LogP ≤ 51.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-[[1-[(2-chlorophenyl)methyl]-2,4-dihydroxy-6-oxo-5-(pyridin-4-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[1-[(2-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetate
CID 58237987
(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-[[5-(cyclopropylmethylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238170
2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238055
2-[[2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-hydroxyphenyl)-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 135914602
2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 54739149
2-[[1-[(2-chlorophenyl)methyl]-2-(2,6-dibromophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928891
2-[[1-[(2-chlorophenyl)methyl]-2-(2-chloro-6-phenylphenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928889
2-[[2-[(2-chlorophenyl)methyl]-6-(3,5-difluorophenyl)-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 54739138
2-[[5-(cyclohexylcarbamoyl)-2,4-dihydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid
CID 58238111
2-[[1-benzyl-2-(2,6-dichlorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928996
1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727033

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-chlorophenyl)methyl]-2,4-dihydroxy-6-oxo-5-(pyridin-4-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-[(2-chlorophenyl)methyl]-2,4-dihydroxy-6-oxo-5-(pyridin-4-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid (CID 58238073) is 2-[[1-[(2-chlorophenyl)methyl]-2,4-dihydroxy-6-oxo-5-(pyridin-4-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-[(2-chlorophenyl)methyl]-2,4-dihydroxy-6-oxo-5-(pyridin-4-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-[(2-chlorophenyl)methyl]-2,4-dihydroxy-6-oxo-5-(pyridin-4-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)c(C(=O)Nc2ccncc2)c(=O)n(Cc2ccccc2Cl)c1O.
What is the InChIKey of 2-[[1-[(2-chlorophenyl)methyl]-2,4-dihydroxy-6-oxo-5-(pyridin-4-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is HHTGIOXARZILEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O7/c22-13-4-2-1-3-11(13)10-26-20(32)15(18(30)24-9-14(27)28)17(29)16(21(26)33)19(31)25-12-5-7-23-8-6-12/h1-8,29,32H,9-10H2,(H,24,30)(H,27,28)(H,23,25,31).
What are the key properties of 2-[[1-[(2-chlorophenyl)methyl]-2,4-dihydroxy-6-oxo-5-(pyridin-4-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid?
2-[[1-[(2-chlorophenyl)methyl]-2,4-dihydroxy-6-oxo-5-(pyridin-4-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 472.84 g/mol, XLogP of 1.42, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-chlorophenyl)methyl]-2,4-dihydroxy-6-oxo-5-(pyridin-4-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 58238073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).