3-(dimethylamino)propyl 2-(3,5-dichloroanilino)pyridine-3-carboxylate;hydrochloride

C17H20Cl3N3O2 — CID 3058629

IUPAC3-(dimethylamino)propyl 2-(3,5-dichloroanilino)pyridine-3-carboxylate;hydrochloride
SMILESCN(C)CCCOC(=O)c1cccnc1Nc1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C17H19Cl2N3O2.ClH/c1-22(2)7-4-8-24-17(23)15-5-3-6-20-16(15)21-14-10-12(18)9-13(19)11-14;/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,20,21);1H
InChIKeyODCZZTYMKITLES-UHFFFAOYSA-N
MW404.73 g/mol
LogP4.66
Rot. Bonds7

About 3-(dimethylamino)propyl 2-(3,5-dichloroanilino)pyridine-3-carboxylate;hydrochloride

3-(dimethylamino)propyl 2-(3,5-dichloroanilino)pyridine-3-carboxylate;hydrochloride (PubChem CID 3058629) has the molecular formula C17H20Cl3N3O2 and a molecular weight of 404.73 g/mol. Its IUPAC name is 3-(dimethylamino)propyl 2-(3,5-dichloroanilino)pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)propyl 2-(3,5-dichloroanilino)pyridine-3-carboxylate;hydrochloride
PubChem CID3058629
Molecular FormulaC17H20Cl3N3O2
Molecular Weight404.73 g/mol
Exact Mass403.06
IUPAC Name3-(dimethylamino)propyl 2-(3,5-dichloroanilino)pyridine-3-carboxylate;hydrochloride
SMILESCN(C)CCCOC(=O)c1cccnc1Nc1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C17H19Cl2N3O2.ClH/c1-22(2)7-4-8-24-17(23)15-5-3-6-20-16(15)21-14-10-12(18)9-13(19)11-14;/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,20,21);1H
InChIKeyODCZZTYMKITLES-UHFFFAOYSA-N
XLogP4.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.73
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Clonixin
CID 28718
Morniflumate
CID 72106
2-(4-Chloro-phenylamino)-nicotinic acid
CID 1432578
Lysine clonixinate
CID 3080836
Methyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate
CID 1483244
Clonixeril
CID 30823
Diclonixin
CID 208833
2-[[[(5-Chloro-2-pyridinyl)amino]-oxomethyl]amino]benzoic acid methyl ester
CID 970084
Allyl 6-(4-phenylpiperazino)nicotinate
CID 3609289
Ethyl 5-chloro-6-(4-{[(3-chlorophenyl)amino]carbonyl}piperazin-1-yl)nicotinate
CID 23642329
Ethyl 5-chloro-6-[4-({[1-(3-isopropenylphenyl)-1methylethyl]amino}carbonyl)piperazin-1-yl]nicotinate
CID 24750561
Ethyl 6-[4-(anilinocarbonyl)piperazin-1-yl]-5-cyanonicotinate
CID 24751574

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl 2-(3,5-dichloroanilino)pyridine-3-carboxylate;hydrochloride?
The IUPAC name of 3-(dimethylamino)propyl 2-(3,5-dichloroanilino)pyridine-3-carboxylate;hydrochloride (CID 3058629) is 3-(dimethylamino)propyl 2-(3,5-dichloroanilino)pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)propyl 2-(3,5-dichloroanilino)pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for 3-(dimethylamino)propyl 2-(3,5-dichloroanilino)pyridine-3-carboxylate;hydrochloride is CN(C)CCCOC(=O)c1cccnc1Nc1cc(Cl)cc(Cl)c1.Cl.
What is the InChIKey of 3-(dimethylamino)propyl 2-(3,5-dichloroanilino)pyridine-3-carboxylate;hydrochloride?
The InChIKey is ODCZZTYMKITLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O2.ClH/c1-22(2)7-4-8-24-17(23)15-5-3-6-20-16(15)21-14-10-12(18)9-13(19)11-14;/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,20,21);1H.
What are the key properties of 3-(dimethylamino)propyl 2-(3,5-dichloroanilino)pyridine-3-carboxylate;hydrochloride?
3-(dimethylamino)propyl 2-(3,5-dichloroanilino)pyridine-3-carboxylate;hydrochloride has a molecular weight of 404.73 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl 2-(3,5-dichloroanilino)pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 3058629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).