5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide

C16H18Cl2N4O — CID 109229253

IUPAC5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cncc(Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H18Cl2N4O/c1-22(2)4-3-20-16(23)11-5-15(10-19-9-11)21-14-7-12(17)6-13(18)8-14/h5-10,21H,3-4H2,1-2H3,(H,20,23)
InChIKeyWSYDGOGMJOTDEV-UHFFFAOYSA-N
MW353.25 g/mol
LogP3.42
Rot. Bonds6

About 5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide

5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide (PubChem CID 109229253) has the molecular formula C16H18Cl2N4O and a molecular weight of 353.25 g/mol. Its IUPAC name is 5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
PubChem CID109229253
Molecular FormulaC16H18Cl2N4O
Molecular Weight353.25 g/mol
Exact Mass352.09
IUPAC Name5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cncc(Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H18Cl2N4O/c1-22(2)4-3-20-16(23)11-5-15(10-19-9-11)21-14-7-12(17)6-13(18)8-14/h5-10,21H,3-4H2,1-2H3,(H,20,23)
InChIKeyWSYDGOGMJOTDEV-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

5-(3,5-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109241004
5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229190
5-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 20959980
N-[2-(dimethylamino)ethyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109227823
5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
CID 109101145
5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229244
N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109229226
5-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235617
N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109225291
N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109229098
methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109229218
N-cyclopentyl-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109226052

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide (CID 109229253) is 5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide is CN(C)CCNC(=O)c1cncc(Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is WSYDGOGMJOTDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O/c1-22(2)4-3-20-16(23)11-5-15(10-19-9-11)21-14-7-12(17)6-13(18)8-14/h5-10,21H,3-4H2,1-2H3,(H,20,23).
What are the key properties of 5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-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 5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109229253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).