5-[4-[(4-chlorophenyl)methoxy]anilino]-N-propylpyridine-2-carboxamide

C22H22ClN3O2 — CID 109179216

IUPAC5-[4-[(4-chlorophenyl)methoxy]anilino]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(OCc3ccc(Cl)cc3)cc2)cn1
InChIInChI=1S/C22H22ClN3O2/c1-2-13-24-22(27)21-12-9-19(14-25-21)26-18-7-10-20(11-8-18)28-15-16-3-5-17(23)6-4-16/h3-12,14,26H,2,13,15H2,1H3,(H,24,27)
InChIKeyJCIKEQFEKRGEMU-UHFFFAOYSA-N
MW395.89 g/mol
LogP5.20
Rot. Bonds8

About 5-[4-[(4-chlorophenyl)methoxy]anilino]-N-propylpyridine-2-carboxamide

5-[4-[(4-chlorophenyl)methoxy]anilino]-N-propylpyridine-2-carboxamide (PubChem CID 109179216) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 5-[4-[(4-chlorophenyl)methoxy]anilino]-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(4-chlorophenyl)methoxy]anilino]-N-propylpyridine-2-carboxamide
PubChem CID109179216
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name5-[4-[(4-chlorophenyl)methoxy]anilino]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(OCc3ccc(Cl)cc3)cc2)cn1
InChIInChI=1S/C22H22ClN3O2/c1-2-13-24-22(27)21-12-9-19(14-25-21)26-18-7-10-20(11-8-18)28-15-16-3-5-17(23)6-4-16/h3-12,14,26H,2,13,15H2,1H3,(H,24,27)
InChIKeyJCIKEQFEKRGEMU-UHFFFAOYSA-N
XLogP5.20
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
CID 108987803
5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179230
methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109179188
ethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109179210
5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide
CID 109179073
5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide
CID 109179165
5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109190050
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109192362
N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109190063
5-hydrazinyl-N-propylpyridine-2-carboxamide
CID 104642261
5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192510
5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181136

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chlorophenyl)methoxy]anilino]-N-propylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[(4-chlorophenyl)methoxy]anilino]-N-propylpyridine-2-carboxamide (CID 109179216) is 5-[4-[(4-chlorophenyl)methoxy]anilino]-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(4-chlorophenyl)methoxy]anilino]-N-propylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(4-chlorophenyl)methoxy]anilino]-N-propylpyridine-2-carboxamide is CCCNC(=O)c1ccc(Nc2ccc(OCc3ccc(Cl)cc3)cc2)cn1.
What is the InChIKey of 5-[4-[(4-chlorophenyl)methoxy]anilino]-N-propylpyridine-2-carboxamide?
The InChIKey is JCIKEQFEKRGEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-2-13-24-22(27)21-12-9-19(14-25-21)26-18-7-10-20(11-8-18)28-15-16-3-5-17(23)6-4-16/h3-12,14,26H,2,13,15H2,1H3,(H,24,27).
What are the key properties of 5-[4-[(4-chlorophenyl)methoxy]anilino]-N-propylpyridine-2-carboxamide?
5-[4-[(4-chlorophenyl)methoxy]anilino]-N-propylpyridine-2-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-chlorophenyl)methoxy]anilino]-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 109179216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).