N-[2-(5-amino-5-oxopentoxy)phenyl]-4-chloro-3-(6-chloro-4-methyl-3-pyridinyl)-N-methylbenzamide

C25H25Cl2N3O3 — CID 141327327

IUPACN-[2-(5-amino-5-oxopentoxy)phenyl]-4-chloro-3-(6-chloro-4-methyl-3-pyridinyl)-N-methylbenzamide
SMILESCc1cc(Cl)ncc1-c1cc(C(=O)N(C)c2ccccc2OCCCCC(N)=O)ccc1Cl
InChIInChI=1S/C25H25Cl2N3O3/c1-16-13-23(27)29-15-19(16)18-14-17(10-11-20(18)26)25(32)30(2)21-7-3-4-8-22(21)33-12-6-5-9-24(28)31/h3-4,7-8,10-11,13-15H,5-6,9,12H2,1-2H3,(H2,28,31)
InChIKeyGGAPQWOXDGPPLT-UHFFFAOYSA-N
MW486.40 g/mol
LogP5.67
Rot. Bonds9

About N-[2-(5-amino-5-oxopentoxy)phenyl]-4-chloro-3-(6-chloro-4-methyl-3-pyridinyl)-N-methylbenzamide

N-[2-(5-amino-5-oxopentoxy)phenyl]-4-chloro-3-(6-chloro-4-methyl-3-pyridinyl)-N-methylbenzamide (PubChem CID 141327327) has the molecular formula C25H25Cl2N3O3 and a molecular weight of 486.40 g/mol. Its IUPAC name is N-[2-(5-amino-5-oxopentoxy)phenyl]-4-chloro-3-(6-chloro-4-methyl-3-pyridinyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(5-amino-5-oxopentoxy)phenyl]-4-chloro-3-(6-chloro-4-methyl-3-pyridinyl)-N-methylbenzamide
PubChem CID141327327
Molecular FormulaC25H25Cl2N3O3
Molecular Weight486.40 g/mol
Exact Mass485.13
IUPAC NameN-[2-(5-amino-5-oxopentoxy)phenyl]-4-chloro-3-(6-chloro-4-methyl-3-pyridinyl)-N-methylbenzamide
SMILESCc1cc(Cl)ncc1-c1cc(C(=O)N(C)c2ccccc2OCCCCC(N)=O)ccc1Cl
InChIInChI=1S/C25H25Cl2N3O3/c1-16-13-23(27)29-15-19(16)18-14-17(10-11-20(18)26)25(32)30(2)21-7-3-4-8-22(21)33-12-6-5-9-24(28)31/h3-4,7-8,10-11,13-15H,5-6,9,12H2,1-2H3,(H2,28,31)
InChIKeyGGAPQWOXDGPPLT-UHFFFAOYSA-N
XLogP5.67
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.40
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(5-amino-5-oxopentoxy)phenyl]-4-chloro-3-(6-chloro-4-methyl-3-pyridinyl)-N-methylbenzamide with MolForge

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Related Compounds

4-chloro-N-methyl-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-N-[2-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethoxy]phenyl]benzamide
CID 146530767
4-[2-[[4-chloro-3-[4-prop-1-ynyl-6-(trifluoromethyl)-3-pyridinyl]benzoyl]-methylamino]phenoxy]butanoic acid
CID 68603050
ethyl 3-[2-[[4-chloro-3-(6-isocyano-4-methyl-3-pyridinyl)benzoyl]-methylamino]-3-methylphenoxy]propanoate
CID 59370373
tert-butyl N-[2-[3-[2-[[4-chloro-3-[4-(trifluoromethyl)-3-pyridinyl]benzoyl]-methylamino]phenoxy]propanoylamino]ethyl]carbamate
CID 151830206
4-[2-[[4-chloro-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]benzoyl]-methylamino]-3-methoxyphenyl]butanoic acid
CID 68602729
N-[2-[3-(2-aminoethylamino)-3-oxopropoxy]phenyl]-4-chloro-3-[4-cyano-2-(trifluoromethyl)-3-pyridinyl]-N-methylbenzamide
CID 91039001
1-(1-iodocyclohexyl)oxycarbonyloxyethyl 3-[2-[[4-chloro-3-[4-cyano-6-(trifluoromethyl)-3-pyridinyl]benzoyl]-methylamino]phenoxy]propanoate
CID 68721513
4-[2-[[4-chloro-3-(3-cyanocyclohepta[b]pyridin-2-yl)benzoyl]-methylamino]phenoxy]butanoic acid
CID 145491109
3-[2-[[4-chloro-3-[4-cyano-6-(trifluoromethyl)-3-pyridinyl]benzoyl]-methylamino]-3-methylphenoxy]propanoic acid
CID 25159257
tert-butyl (2S)-1-[3-[2-[[4-chloro-3-[4-cyano-6-(trifluoromethyl)-3-pyridinyl]benzoyl]-methylamino]phenoxy]propyl]pyrrolidine-2-carboxylate
CID 68604968
ethyl 2-[3-[2-[(4-amino-3-methoxybenzoyl)-methylamino]phenoxy]propoxy]acetate
CID 70060005
4-chloro-3-[2-cyano-4-(trifluoromethyl)phenyl]-N-[2-(3-hydroxypropoxy)-6-methylphenyl]-N-methylbenzamide
CID 59370340

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-5-oxopentoxy)phenyl]-4-chloro-3-(6-chloro-4-methyl-3-pyridinyl)-N-methylbenzamide?
The IUPAC name of N-[2-(5-amino-5-oxopentoxy)phenyl]-4-chloro-3-(6-chloro-4-methyl-3-pyridinyl)-N-methylbenzamide (CID 141327327) is N-[2-(5-amino-5-oxopentoxy)phenyl]-4-chloro-3-(6-chloro-4-methyl-3-pyridinyl)-N-methylbenzamide.
What is the SMILES notation for N-[2-(5-amino-5-oxopentoxy)phenyl]-4-chloro-3-(6-chloro-4-methyl-3-pyridinyl)-N-methylbenzamide?
The canonical SMILES for N-[2-(5-amino-5-oxopentoxy)phenyl]-4-chloro-3-(6-chloro-4-methyl-3-pyridinyl)-N-methylbenzamide is Cc1cc(Cl)ncc1-c1cc(C(=O)N(C)c2ccccc2OCCCCC(N)=O)ccc1Cl.
What is the InChIKey of N-[2-(5-amino-5-oxopentoxy)phenyl]-4-chloro-3-(6-chloro-4-methyl-3-pyridinyl)-N-methylbenzamide?
The InChIKey is GGAPQWOXDGPPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O3/c1-16-13-23(27)29-15-19(16)18-14-17(10-11-20(18)26)25(32)30(2)21-7-3-4-8-22(21)33-12-6-5-9-24(28)31/h3-4,7-8,10-11,13-15H,5-6,9,12H2,1-2H3,(H2,28,31).
What are the key properties of N-[2-(5-amino-5-oxopentoxy)phenyl]-4-chloro-3-(6-chloro-4-methyl-3-pyridinyl)-N-methylbenzamide?
N-[2-(5-amino-5-oxopentoxy)phenyl]-4-chloro-3-(6-chloro-4-methyl-3-pyridinyl)-N-methylbenzamide has a molecular weight of 486.40 g/mol, XLogP of 5.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-5-oxopentoxy)phenyl]-4-chloro-3-(6-chloro-4-methyl-3-pyridinyl)-N-methylbenzamide is sourced from PubChem (CID 141327327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).