3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide

C15H15Cl2N3O — CID 62175178

IUPAC3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NC(C)c2ccccc2Cl)n1
InChIInChI=1S/C15H15Cl2N3O/c1-9(10-5-3-4-6-11(10)16)19-15(21)14-12(17)7-8-13(18-2)20-14/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyVTUAYVKUPRPKKS-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.92
Rot. Bonds4

About 3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide

3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide (PubChem CID 62175178) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide
PubChem CID62175178
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NC(C)c2ccccc2Cl)n1
InChIInChI=1S/C15H15Cl2N3O/c1-9(10-5-3-4-6-11(10)16)19-15(21)14-12(17)7-8-13(18-2)20-14/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyVTUAYVKUPRPKKS-UHFFFAOYSA-N
XLogP3.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide
CID 81379610
3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 47097948
3-chloro-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 113473020
3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-carboxamide
CID 55047188
2-chloro-N-[1-(2-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 106501562
3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide
CID 103606462
3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 62247454
6-chloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 61042386
3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 62166943
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
CID 62170062
3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide
CID 62178273

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide (CID 62175178) is 3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide is CNc1ccc(Cl)c(C(=O)NC(C)c2ccccc2Cl)n1.
What is the InChIKey of 3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is VTUAYVKUPRPKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-9(10-5-3-4-6-11(10)16)19-15(21)14-12(17)7-8-13(18-2)20-14/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide?
3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide has a molecular weight of 324.21 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62175178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).