N-[2-[3-(2,4-dichlorophenoxy)propylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide

C23H21Cl2N3O3 — CID 60599859

IUPACN-[2-[3-(2,4-dichlorophenoxy)propylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide
SMILESCc1cccc(C(=O)NCCCOc2ccc(Cl)cc2Cl)c1NC(=O)c1ccncc1
InChIInChI=1S/C23H21Cl2N3O3/c1-15-4-2-5-18(21(15)28-22(29)16-8-11-26-12-9-16)23(30)27-10-3-13-31-20-7-6-17(24)14-19(20)25/h2,4-9,11-12,14H,3,10,13H2,1H3,(H,27,30)(H,28,29)
InChIKeyPJCABKNQYPQLJT-UHFFFAOYSA-N
MW458.35 g/mol
LogP5.15
Rot. Bonds8

About N-[2-[3-(2,4-dichlorophenoxy)propylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide

N-[2-[3-(2,4-dichlorophenoxy)propylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide (PubChem CID 60599859) has the molecular formula C23H21Cl2N3O3 and a molecular weight of 458.35 g/mol. Its IUPAC name is N-[2-[3-(2,4-dichlorophenoxy)propylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(2,4-dichlorophenoxy)propylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide
PubChem CID60599859
Molecular FormulaC23H21Cl2N3O3
Molecular Weight458.35 g/mol
Exact Mass457.10
IUPAC NameN-[2-[3-(2,4-dichlorophenoxy)propylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide
SMILESCc1cccc(C(=O)NCCCOc2ccc(Cl)cc2Cl)c1NC(=O)c1ccncc1
InChIInChI=1S/C23H21Cl2N3O3/c1-15-4-2-5-18(21(15)28-22(29)16-8-11-26-12-9-16)23(30)27-10-3-13-31-20-7-6-17(24)14-19(20)25/h2,4-9,11-12,14H,3,10,13H2,1H3,(H,27,30)(H,28,29)
InChIKeyPJCABKNQYPQLJT-UHFFFAOYSA-N
XLogP5.15
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.35
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylbenzamide
CID 86863926
N-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-nitrobenzamide
CID 60599919
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 108541628
1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108881118
N-[3-(6-chloro-2-oxochromen-4-yl)oxypropyl]pyridine-4-carboxamide
CID 11210558
N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide
CID 47802697
2-chloro-N-[3-(2,4-dichlorophenoxy)propylcarbamothioyl]benzamide
CID 134095574
3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide
CID 60578580
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide
CID 75381423
N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385
N-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide
CID 47074877
N-[3-(2,4-dichlorophenoxy)propylcarbamothioyl]benzamide
CID 134087190

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2,4-dichlorophenoxy)propylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[3-(2,4-dichlorophenoxy)propylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide (CID 60599859) is N-[2-[3-(2,4-dichlorophenoxy)propylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[3-(2,4-dichlorophenoxy)propylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[3-(2,4-dichlorophenoxy)propylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide is Cc1cccc(C(=O)NCCCOc2ccc(Cl)cc2Cl)c1NC(=O)c1ccncc1.
What is the InChIKey of N-[2-[3-(2,4-dichlorophenoxy)propylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide?
The InChIKey is PJCABKNQYPQLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O3/c1-15-4-2-5-18(21(15)28-22(29)16-8-11-26-12-9-16)23(30)27-10-3-13-31-20-7-6-17(24)14-19(20)25/h2,4-9,11-12,14H,3,10,13H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[2-[3-(2,4-dichlorophenoxy)propylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide?
N-[2-[3-(2,4-dichlorophenoxy)propylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide has a molecular weight of 458.35 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,4-dichlorophenoxy)propylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 60599859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).