5-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide

C18H22Cl2N4O — CID 109185349

IUPAC5-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(NCCc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C18H22Cl2N4O/c1-24(2)10-9-22-18(25)17-6-5-15(12-23-17)21-8-7-13-3-4-14(19)11-16(13)20/h3-6,11-12,21H,7-10H2,1-2H3,(H,22,25)
InChIKeyGRFFBGJGBZPZEL-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.33
Rot. Bonds8

About 5-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide

5-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide (PubChem CID 109185349) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is 5-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
PubChem CID109185349
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC Name5-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(NCCc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C18H22Cl2N4O/c1-24(2)10-9-22-18(25)17-6-5-15(12-23-17)21-8-7-13-3-4-14(19)11-16(13)20/h3-6,11-12,21H,7-10H2,1-2H3,(H,22,25)
InChIKeyGRFFBGJGBZPZEL-UHFFFAOYSA-N
XLogP3.33
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183900
5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181090
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252745
N-[2-(dimethylamino)ethyl]-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109185316
N-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109186180
5-[2-(dimethylamino)ethylamino]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184198
5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277199
N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205915
5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109186106
N-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide
CID 109288120
5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186013
5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide (CID 109185349) is 5-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide is CN(C)CCNC(=O)c1ccc(NCCc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of 5-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
The InChIKey is GRFFBGJGBZPZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O/c1-24(2)10-9-22-18(25)17-6-5-15(12-23-17)21-8-7-13-3-4-14(19)11-16(13)20/h3-6,11-12,21H,7-10H2,1-2H3,(H,22,25).
What are the key properties of 5-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
5-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide has a molecular weight of 381.31 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109185349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).