5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide

C17H19Cl2N3O — CID 109240111

IUPAC5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1cncc(Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H19Cl2N3O/c1-2-3-4-7-21-17(23)12-8-14(11-20-10-12)22-16-9-13(18)5-6-15(16)19/h5-6,8-11,22H,2-4,7H2,1H3,(H,21,23)
InChIKeyUXFQWRAMDOJNEF-UHFFFAOYSA-N
MW352.27 g/mol
LogP5.05
Rot. Bonds7

About 5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide

5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide (PubChem CID 109240111) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is 5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide
PubChem CID109240111
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC Name5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1cncc(Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H19Cl2N3O/c1-2-3-4-7-21-17(23)12-8-14(11-20-10-12)22-16-9-13(18)5-6-15(16)19/h5-6,8-11,22H,2-4,7H2,1H3,(H,21,23)
InChIKeyUXFQWRAMDOJNEF-UHFFFAOYSA-N
XLogP5.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.27
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222941
5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide
CID 109107296
N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 109224461
5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228170
N-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide
CID 109224520
5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide
CID 109106595
N-cyclopentyl-5-(2,5-dichloroanilino)pyridine-3-carboxamide
CID 109226051
5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235330
methyl 2-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109240079
N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109224522
N-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide
CID 109240281
5-(2,3-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222945

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide?
The IUPAC name of 5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide (CID 109240111) is 5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide?
The canonical SMILES for 5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide is CCCCCNC(=O)c1cncc(Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide?
The InChIKey is UXFQWRAMDOJNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-2-3-4-7-21-17(23)12-8-14(11-20-10-12)22-16-9-13(18)5-6-15(16)19/h5-6,8-11,22H,2-4,7H2,1H3,(H,21,23).
What are the key properties of 5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide?
5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide has a molecular weight of 352.27 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide is sourced from PubChem (CID 109240111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).