4-azido-N-[3-[[2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propyl]-2-hydroxybenzamide

C24H22ClN5O3 — CID 18763161

IUPAC4-azido-N-[3-[[2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propyl]-2-hydroxybenzamide
SMILESCc1ccc(OCCCNC(=O)c2ccc(N=[N+]=[N-])cc2O)c(/C=C/c2cccc(Cl)c2)n1
InChIInChI=1S/C24H22ClN5O3/c1-16-6-11-23(21(28-16)10-7-17-4-2-5-18(25)14-17)33-13-3-12-27-24(32)20-9-8-19(29-30-26)15-22(20)31/h2,4-11,14-15,31H,3,12-13H2,1H3,(H,27,32)/b10-7+
InChIKeyDZIHAKBBLXIDHF-JXMROGBWSA-N
MW463.93 g/mol
LogP6.06
Rot. Bonds9

About 4-azido-N-[3-[[2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propyl]-2-hydroxybenzamide

4-azido-N-[3-[[2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propyl]-2-hydroxybenzamide (PubChem CID 18763161) has the molecular formula C24H22ClN5O3 and a molecular weight of 463.93 g/mol. Its IUPAC name is 4-azido-N-[3-[[2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-azido-N-[3-[[2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propyl]-2-hydroxybenzamide
PubChem CID18763161
Molecular FormulaC24H22ClN5O3
Molecular Weight463.93 g/mol
Exact Mass463.14
IUPAC Name4-azido-N-[3-[[2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propyl]-2-hydroxybenzamide
SMILESCc1ccc(OCCCNC(=O)c2ccc(N=[N+]=[N-])cc2O)c(/C=C/c2cccc(Cl)c2)n1
InChIInChI=1S/C24H22ClN5O3/c1-16-6-11-23(21(28-16)10-7-17-4-2-5-18(25)14-17)33-13-3-12-27-24(32)20-9-8-19(29-30-26)15-22(20)31/h2,4-11,14-15,31H,3,12-13H2,1H3,(H,27,32)/b10-7+
InChIKeyDZIHAKBBLXIDHF-JXMROGBWSA-N
XLogP6.06
TPSA120.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.93
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 54137444
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(3-methoxypropyl)urea
CID 108906477
4-chloro-2-hydroxy-N-(3-methoxypropyl)benzamide
CID 43090061
4-azido-2-hydroxy-N-[6-oxo-8-(pyridin-2-yldisulfanyl)octyl]benzamide
CID 58150420
4-azido-2-hydroxy-N-[8-(methyldisulfanyl)-6-oxooctyl]benzamide;3-[2-[2-[2-[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide
CID 158036367
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-pentylurea
CID 108906578
(E)-3-(3-chlorophenyl)-N-[7-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]heptyl]prop-2-enamide
CID 6167041
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea
CID 108906605
2,4-dichloro-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174593
(2,5-dioxopyrrolidin-1-yl) 3-[2-[(4-azido-2-hydroxybenzoyl)amino]ethyldisulfanyl]propanoate
CID 10365912
N-[2-[3-(2,4-dichlorophenoxy)propylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide
CID 60599859
ethyl 4-[3-(3-chlorophenyl)prop-2-enoylamino]butanoate
CID 76872175

Frequently Asked Questions

What is the IUPAC name of 4-azido-N-[3-[[2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propyl]-2-hydroxybenzamide?
The IUPAC name of 4-azido-N-[3-[[2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propyl]-2-hydroxybenzamide (CID 18763161) is 4-azido-N-[3-[[2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-azido-N-[3-[[2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propyl]-2-hydroxybenzamide?
The canonical SMILES for 4-azido-N-[3-[[2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propyl]-2-hydroxybenzamide is Cc1ccc(OCCCNC(=O)c2ccc(N=[N+]=[N-])cc2O)c(/C=C/c2cccc(Cl)c2)n1.
What is the InChIKey of 4-azido-N-[3-[[2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propyl]-2-hydroxybenzamide?
The InChIKey is DZIHAKBBLXIDHF-JXMROGBWSA-N. The full InChI is InChI=1S/C24H22ClN5O3/c1-16-6-11-23(21(28-16)10-7-17-4-2-5-18(25)14-17)33-13-3-12-27-24(32)20-9-8-19(29-30-26)15-22(20)31/h2,4-11,14-15,31H,3,12-13H2,1H3,(H,27,32)/b10-7+.
What are the key properties of 4-azido-N-[3-[[2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propyl]-2-hydroxybenzamide?
4-azido-N-[3-[[2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propyl]-2-hydroxybenzamide has a molecular weight of 463.93 g/mol, XLogP of 6.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-[3-[[2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propyl]-2-hydroxybenzamide is sourced from PubChem (CID 18763161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).