2-[[5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid

C20H23ClN4O4 — CID 175268804

IUPAC2-[[5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc(N2CCN(CCc3ccc(Cl)cc3)CC2)cc1O
InChIInChI=1S/C20H23ClN4O4/c21-15-3-1-14(2-4-15)5-6-24-7-9-25(10-8-24)16-11-17(26)19(22-12-16)20(29)23-13-18(27)28/h1-4,11-12,26H,5-10,13H2,(H,23,29)(H,27,28)
InChIKeySHQBYFZKVTZWKG-UHFFFAOYSA-N
MW418.88 g/mol
LogP1.62
Rot. Bonds7

About 2-[[5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid

2-[[5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid (PubChem CID 175268804) has the molecular formula C20H23ClN4O4 and a molecular weight of 418.88 g/mol. Its IUPAC name is 2-[[5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
PubChem CID175268804
Molecular FormulaC20H23ClN4O4
Molecular Weight418.88 g/mol
Exact Mass418.14
IUPAC Name2-[[5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc(N2CCN(CCc3ccc(Cl)cc3)CC2)cc1O
InChIInChI=1S/C20H23ClN4O4/c21-15-3-1-14(2-4-15)5-6-24-7-9-25(10-8-24)16-11-17(26)19(22-12-16)20(29)23-13-18(27)28/h1-4,11-12,26H,5-10,13H2,(H,23,29)(H,27,28)
InChIKeySHQBYFZKVTZWKG-UHFFFAOYSA-N
XLogP1.62
TPSA106.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-hydroxy-5-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]pyridine-2-carbonyl]amino]acetic acid
CID 175268871
2-[[5-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 175268821
2-[[5-(4-chlorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 134478916
2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 42266128
5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide
CID 89301360
4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 55778311
3-chloro-N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]benzamide
CID 35951576
1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113074562
3-[4-(2-phenylethyl)piperazin-1-yl]quinoline
CID 174498019
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 42266990
1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine
CID 70460835

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid (CID 175268804) is 2-[[5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ncc(N2CCN(CCc3ccc(Cl)cc3)CC2)cc1O.
What is the InChIKey of 2-[[5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
The InChIKey is SHQBYFZKVTZWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O4/c21-15-3-1-14(2-4-15)5-6-24-7-9-25(10-8-24)16-11-17(26)19(22-12-16)20(29)23-13-18(27)28/h1-4,11-12,26H,5-10,13H2,(H,23,29)(H,27,28).
What are the key properties of 2-[[5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
2-[[5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid has a molecular weight of 418.88 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 175268804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).