4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]benzoic acid

C22H17ClN6O5 — CID 135205876

IUPAC4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]benzoic acid
SMILESCOc1cn(CC(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1-n1cnnn1
InChIInChI=1S/C22H17ClN6O5/c1-34-19-10-28(11-20(30)25-15-5-2-13(3-6-15)22(32)33)21(31)9-17(19)16-8-14(23)4-7-18(16)29-12-24-26-27-29/h2-10,12H,11H2,1H3,(H,25,30)(H,32,33)
InChIKeyKWIOAPQMNXFJOI-UHFFFAOYSA-N
MW480.87 g/mol
LogP2.49
Rot. Bonds7

About 4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]benzoic acid

4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]benzoic acid (PubChem CID 135205876) has the molecular formula C22H17ClN6O5 and a molecular weight of 480.87 g/mol. Its IUPAC name is 4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]benzoic acid
PubChem CID135205876
Molecular FormulaC22H17ClN6O5
Molecular Weight480.87 g/mol
Exact Mass480.09
IUPAC Name4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]benzoic acid
SMILESCOc1cn(CC(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1-n1cnnn1
InChIInChI=1S/C22H17ClN6O5/c1-34-19-10-28(11-20(30)25-15-5-2-13(3-6-15)22(32)33)21(31)9-17(19)16-8-14(23)4-7-18(16)29-12-24-26-27-29/h2-10,12H,11H2,1H3,(H,25,30)(H,32,33)
InChIKeyKWIOAPQMNXFJOI-UHFFFAOYSA-N
XLogP2.49
TPSA141.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.87
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]benzoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 138655942
2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride
CID 135205382
1-[(3-bromo-4-fluorophenyl)methyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one
CID 168875768
(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)pentanamide
CID 135204928
4-[[2-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbonyl]amino]benzoic acid
CID 118319739
4-[[2-[4-[5-chloro-2-(4-chloroimidazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]benzoic acid
CID 135206033
5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
4-[[(2S)-3-carboxy-2-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]propanoyl]amino]benzoic acid
CID 59402175
N-(2-amino-4-nitrophenyl)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-phenylprop-2-enamide
CID 175176861
4-[[2-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-[(4-ethylphenyl)methyl]amino]acetyl]amino]benzoic acid
CID 166633140
3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 67316008
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-4-(tetrazol-1-yl)benzamide
CID 55771254

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]benzoic acid?
The IUPAC name of 4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]benzoic acid (CID 135205876) is 4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]benzoic acid is COc1cn(CC(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1-n1cnnn1.
What is the InChIKey of 4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]benzoic acid?
The InChIKey is KWIOAPQMNXFJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6O5/c1-34-19-10-28(11-20(30)25-15-5-2-13(3-6-15)22(32)33)21(31)9-17(19)16-8-14(23)4-7-18(16)29-12-24-26-27-29/h2-10,12H,11H2,1H3,(H,25,30)(H,32,33).
What are the key properties of 4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]benzoic acid?
4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]benzoic acid has a molecular weight of 480.87 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]benzoic acid is sourced from PubChem (CID 135205876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).