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Vadadustat

C14H11ClN2O4 — CID 23634441

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1O
InChIInChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
InChIKeyJGRXMPYUTJLTKT-UHFFFAOYSA-N
MW306.71 g/mol
LogP1.92
Rot. Bonds4

About Vadadustat

Vadadustat (PubChem CID 23634441) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound NameVadadustat
PubChem CID23634441
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1O
InChIInChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
InChIKeyJGRXMPYUTJLTKT-UHFFFAOYSA-N
XLogP1.92
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

FG-2216
CID 6914666
Ddo-3055
CID 129027150
US8598210, Table XV, 4
CID 24891734
(2s)-2-{[(1-Chloro-4-Hydroxyisoquinolin-3-Yl)carbonyl]amino}propanoic Acid
CID 44591754
Prolyl Hydroxylase inhibitor 1
CID 138319689
N-[(4-Hydroxy-8-iodoisoquinolin-3-YL)carbonyl]glycine
CID 6914624
US8598210, Table XV, 1
CID 24891582
(R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)propanoic acid
CID 44591755
(2S)-2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]-3-phenylpropanoic acid
CID 71655145
US10889546, Example 5
CID 129027154
US10889546, Example 45
CID 129027275
US10889546, Example 46
CID 129027321

Frequently Asked Questions

What is the IUPAC name of Vadadustat?
The IUPAC name of Vadadustat (CID 23634441) is 2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for Vadadustat?
The canonical SMILES for Vadadustat is O=C(O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1O.
What is the InChIKey of Vadadustat?
The InChIKey is JGRXMPYUTJLTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20).
What are the key properties of Vadadustat?
Vadadustat has a molecular weight of 306.71 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Vadadustat is sourced from PubChem (CID 23634441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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