6-N-(3,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide

C17H18Cl2N4O2 — CID 109096412

IUPAC6-N-(3,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
SMILESCN(C)CCNC(=O)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C17H18Cl2N4O2/c1-23(2)7-6-20-16(24)14-4-3-5-15(22-14)17(25)21-13-9-11(18)8-12(19)10-13/h3-5,8-10H,6-7H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyNBUPGRMXDFHXAF-UHFFFAOYSA-N
MW381.26 g/mol
LogP2.93
Rot. Bonds6

About 6-N-(3,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide

6-N-(3,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide (PubChem CID 109096412) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is 6-N-(3,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(3,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
PubChem CID109096412
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC Name6-N-(3,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
SMILESCN(C)CCNC(=O)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C17H18Cl2N4O2/c1-23(2)7-6-20-16(24)14-4-3-5-15(22-14)17(25)21-13-9-11(18)8-12(19)10-13/h3-5,8-10H,6-7H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyNBUPGRMXDFHXAF-UHFFFAOYSA-N
XLogP2.93
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(2,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096411
2-N-[2-(dimethylamino)ethyl]-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 109096394
6-N-(5-chloro-2-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096365
2-N-[2-(dimethylamino)ethyl]-6-N-(4-ethylphenyl)pyridine-2,6-dicarboxamide
CID 109096349
2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109096385
6-N-(5-chloro-2-methoxyphenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096371
6-N-(2-chloro-4,6-dimethylphenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096369
6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096585
6-N-(3-chloro-4-methoxyphenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096594
6-(dimethylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 84575014
2-N-[2-(dimethylamino)ethyl]-6-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109096405
N-[2-(dimethylamino)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 62247180

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(3,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide (CID 109096412) is 6-N-(3,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(3,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(3,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide is CN(C)CCNC(=O)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 6-N-(3,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide?
The InChIKey is NBUPGRMXDFHXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2/c1-23(2)7-6-20-16(24)14-4-3-5-15(22-14)17(25)21-13-9-11(18)8-12(19)10-13/h3-5,8-10H,6-7H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 6-N-(3,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide?
6-N-(3,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide has a molecular weight of 381.26 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109096412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).