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

C17H16ClN3O7 — CID 58238071

IUPAC2-[[1-[(2-chlorophenyl)methyl]-4,6-dihydroxy-5-(methylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid
SMILESCNC(=O)c1c(O)c(C(=O)NCC(=O)O)c(=O)n(Cc2ccccc2Cl)c1O
InChIInChI=1S/C17H16ClN3O7/c1-19-14(25)11-13(24)12(15(26)20-6-10(22)23)17(28)21(16(11)27)7-8-4-2-3-5-9(8)18/h2-5,24,27H,6-7H2,1H3,(H,19,25)(H,20,26)(H,22,23)
InChIKeyDLXYOTWLQBUBIE-UHFFFAOYSA-N
MW409.78 g/mol
LogP0.14
Rot. Bonds6

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

2-[[1-[(2-chlorophenyl)methyl]-4,6-dihydroxy-5-(methylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid (PubChem CID 58238071) has the molecular formula C17H16ClN3O7 and a molecular weight of 409.78 g/mol. Its IUPAC name is 2-[[1-[(2-chlorophenyl)methyl]-4,6-dihydroxy-5-(methylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-[(2-chlorophenyl)methyl]-4,6-dihydroxy-5-(methylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid
PubChem CID58238071
Molecular FormulaC17H16ClN3O7
Molecular Weight409.78 g/mol
Exact Mass409.07
IUPAC Name2-[[1-[(2-chlorophenyl)methyl]-4,6-dihydroxy-5-(methylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid
SMILESCNC(=O)c1c(O)c(C(=O)NCC(=O)O)c(=O)n(Cc2ccccc2Cl)c1O
InChIInChI=1S/C17H16ClN3O7/c1-19-14(25)11-13(24)12(15(26)20-6-10(22)23)17(28)21(16(11)27)7-8-4-2-3-5-9(8)18/h2-5,24,27H,6-7H2,1H3,(H,19,25)(H,20,26)(H,22,23)
InChIKeyDLXYOTWLQBUBIE-UHFFFAOYSA-N
XLogP0.14
TPSA157.96 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.78
LogP ≤ 50.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-chlorophenyl)methyl]-4,6-dihydroxy-5-(methylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-[(2-chlorophenyl)methyl]-4,6-dihydroxy-5-(methylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid (CID 58238071) is 2-[[1-[(2-chlorophenyl)methyl]-4,6-dihydroxy-5-(methylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-[(2-chlorophenyl)methyl]-4,6-dihydroxy-5-(methylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-[(2-chlorophenyl)methyl]-4,6-dihydroxy-5-(methylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid is CNC(=O)c1c(O)c(C(=O)NCC(=O)O)c(=O)n(Cc2ccccc2Cl)c1O.
What is the InChIKey of 2-[[1-[(2-chlorophenyl)methyl]-4,6-dihydroxy-5-(methylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid?
The InChIKey is DLXYOTWLQBUBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O7/c1-19-14(25)11-13(24)12(15(26)20-6-10(22)23)17(28)21(16(11)27)7-8-4-2-3-5-9(8)18/h2-5,24,27H,6-7H2,1H3,(H,19,25)(H,20,26)(H,22,23).
What are the key properties of 2-[[1-[(2-chlorophenyl)methyl]-4,6-dihydroxy-5-(methylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid?
2-[[1-[(2-chlorophenyl)methyl]-4,6-dihydroxy-5-(methylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid has a molecular weight of 409.78 g/mol, XLogP of 0.14, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-chlorophenyl)methyl]-4,6-dihydroxy-5-(methylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 58238071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).