2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(3-cyclopropylphenoxy)pyridine-4-carboxamide

C23H20Cl2N2O2 — CID 171612271

IUPAC2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(3-cyclopropylphenoxy)pyridine-4-carboxamide
SMILESO=C(NCCc1ccccc1Cl)c1cc(Cl)ncc1Oc1cccc(C2CC2)c1
InChIInChI=1S/C23H20Cl2N2O2/c24-20-7-2-1-4-16(20)10-11-26-23(28)19-13-22(25)27-14-21(19)29-18-6-3-5-17(12-18)15-8-9-15/h1-7,12-15H,8-11H2,(H,26,28)
InChIKeyXHWYZMFRPMAJBX-UHFFFAOYSA-N
MW427.33 g/mol
LogP6.03
Rot. Bonds7

About 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(3-cyclopropylphenoxy)pyridine-4-carboxamide

2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(3-cyclopropylphenoxy)pyridine-4-carboxamide (PubChem CID 171612271) has the molecular formula C23H20Cl2N2O2 and a molecular weight of 427.33 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(3-cyclopropylphenoxy)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(3-cyclopropylphenoxy)pyridine-4-carboxamide
PubChem CID171612271
Molecular FormulaC23H20Cl2N2O2
Molecular Weight427.33 g/mol
Exact Mass426.09
IUPAC Name2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(3-cyclopropylphenoxy)pyridine-4-carboxamide
SMILESO=C(NCCc1ccccc1Cl)c1cc(Cl)ncc1Oc1cccc(C2CC2)c1
InChIInChI=1S/C23H20Cl2N2O2/c24-20-7-2-1-4-16(20)10-11-26-23(28)19-13-22(25)27-14-21(19)29-18-6-3-5-17(12-18)15-8-9-15/h1-7,12-15H,8-11H2,(H,26,28)
InChIKeyXHWYZMFRPMAJBX-UHFFFAOYSA-N
XLogP6.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]pyrazolo[1,5-a]pyridine-5-carboxamide
CID 170019167
5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfonylpyrimidine-4-carboxamide
CID 175980310
7-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 170019165
2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]-5-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxamide
CID 157036898
2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114917183
2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 114918295
2-chloro-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-5-(3-methoxyphenoxy)pyridine-4-carboxamide
CID 171612315
2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 114917187
methyl 5-(3-cyclopropylphenoxy)-3-hydroxy-2-(2-methylprop-2-enyl)pyridine-4-carboxylate
CID 168896856
4-chloro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103867838
2-chloro-N-(2-naphthalen-1-ylethyl)benzamide
CID 46434104
N-[2-(2-chlorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924321

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(3-cyclopropylphenoxy)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(3-cyclopropylphenoxy)pyridine-4-carboxamide (CID 171612271) is 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(3-cyclopropylphenoxy)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(3-cyclopropylphenoxy)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(3-cyclopropylphenoxy)pyridine-4-carboxamide is O=C(NCCc1ccccc1Cl)c1cc(Cl)ncc1Oc1cccc(C2CC2)c1.
What is the InChIKey of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(3-cyclopropylphenoxy)pyridine-4-carboxamide?
The InChIKey is XHWYZMFRPMAJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O2/c24-20-7-2-1-4-16(20)10-11-26-23(28)19-13-22(25)27-14-21(19)29-18-6-3-5-17(12-18)15-8-9-15/h1-7,12-15H,8-11H2,(H,26,28).
What are the key properties of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(3-cyclopropylphenoxy)pyridine-4-carboxamide?
2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(3-cyclopropylphenoxy)pyridine-4-carboxamide has a molecular weight of 427.33 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(3-cyclopropylphenoxy)pyridine-4-carboxamide is sourced from PubChem (CID 171612271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).