N-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide

C16H18Cl2N4O — CID 109229435

IUPACN-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
SMILESCN(C)CCNc1cncc(C(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H18Cl2N4O/c1-22(2)7-6-20-12-8-11(9-19-10-12)16(23)21-14-5-3-4-13(17)15(14)18/h3-5,8-10,20H,6-7H2,1-2H3,(H,21,23)
InChIKeyBTQDUOVBZLLRQH-UHFFFAOYSA-N
MW353.25 g/mol
LogP3.61
Rot. Bonds6

About N-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide

N-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide (PubChem CID 109229435) has the molecular formula C16H18Cl2N4O and a molecular weight of 353.25 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
PubChem CID109229435
Molecular FormulaC16H18Cl2N4O
Molecular Weight353.25 g/mol
Exact Mass352.09
IUPAC NameN-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
SMILESCN(C)CCNc1cncc(C(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H18Cl2N4O/c1-22(2)7-6-20-12-8-11(9-19-10-12)16(23)21-14-5-3-4-13(17)15(14)18/h3-5,8-10,20H,6-7H2,1-2H3,(H,21,23)
InChIKeyBTQDUOVBZLLRQH-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109229445
5-[2-(dimethylamino)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109229386
5-[2-(dimethylamino)ethylamino]-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109229444
N-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244353
5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229190
5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109107398
N-(3-chloro-4-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229990
N-(3-chloro-4-fluorophenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229991
5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230003
5-(2,3-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222945
N-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225036
N-(1,3-benzodioxol-5-yl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109229419

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide (CID 109229435) is N-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide is CN(C)CCNc1cncc(C(=O)Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide?
The InChIKey is BTQDUOVBZLLRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O/c1-22(2)7-6-20-12-8-11(9-19-10-12)16(23)21-14-5-3-4-13(17)15(14)18/h3-5,8-10,20H,6-7H2,1-2H3,(H,21,23).
What are the key properties of N-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide?
N-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide has a molecular weight of 353.25 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109229435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).