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

C16H18Cl2N4O — CID 109167766

IUPAC2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccnc(Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H18Cl2N4O/c1-22(2)8-7-20-16(23)11-5-6-19-15(9-11)21-12-3-4-13(17)14(18)10-12/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyIJAUZVSTRAZWHO-UHFFFAOYSA-N
MW353.25 g/mol
LogP3.42
Rot. Bonds6

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

2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide (PubChem CID 109167766) has the molecular formula C16H18Cl2N4O and a molecular weight of 353.25 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
PubChem CID109167766
Molecular FormulaC16H18Cl2N4O
Molecular Weight353.25 g/mol
Exact Mass352.09
IUPAC Name2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccnc(Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H18Cl2N4O/c1-22(2)8-7-20-16(23)11-5-6-19-15(9-11)21-12-3-4-13(17)14(18)10-12/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyIJAUZVSTRAZWHO-UHFFFAOYSA-N
XLogP3.42
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 109167767
6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344392
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168260
N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
CID 109167751
2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168292
2-(3,4-dichloroanilino)pyridine-4-carboxylic acid
CID 13082139
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778
2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172025
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166847
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-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide
CID 109083492

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide (CID 109167766) is 2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide is CN(C)CCNC(=O)c1ccnc(Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide?
The InChIKey is IJAUZVSTRAZWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O/c1-22(2)8-7-20-16(23)11-5-6-19-15(9-11)21-12-3-4-13(17)14(18)10-12/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)(H,20,23).
What are the key properties of 2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide?
2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide has a molecular weight of 353.25 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109167766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).