2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide

C17H20Cl2N4O — CID 109168292

IUPAC2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1ccnc(Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H20Cl2N4O/c1-23(2)10-4-8-21-17(24)12-7-9-20-15(11-12)22-16-13(18)5-3-6-14(16)19/h3,5-7,9,11H,4,8,10H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyQQGUKABTRNVKNL-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.81
Rot. Bonds7

About 2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide

2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide (PubChem CID 109168292) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
PubChem CID109168292
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC Name2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1ccnc(Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H20Cl2N4O/c1-23(2)10-4-8-21-17(24)12-7-9-20-15(11-12)22-16-13(18)5-3-6-14(16)19/h3,5-7,9,11H,4,8,10H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyQQGUKABTRNVKNL-UHFFFAOYSA-N
XLogP3.81
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.81
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

2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167135
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778
N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109168244
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109168255
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168260
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 109167766
N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109165408
2-(2,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 109167767
N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109168152
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide (CID 109168292) is 2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide is CN(C)CCCNC(=O)c1ccnc(Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide?
The InChIKey is QQGUKABTRNVKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O/c1-23(2)10-4-8-21-17(24)12-7-9-20-15(11-12)22-16-13(18)5-3-6-14(16)19/h3,5-7,9,11H,4,8,10H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of 2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide?
2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide has a molecular weight of 367.28 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 109168292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).