3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide

C17H19Cl2N3O — CID 134025831

IUPAC3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide
SMILESCN(C)C(CNC(=O)c1nc(Cl)ccc1Cl)Cc1ccccc1
InChIInChI=1S/C17H19Cl2N3O/c1-22(2)13(10-12-6-4-3-5-7-12)11-20-17(23)16-14(18)8-9-15(19)21-16/h3-9,13H,10-11H2,1-2H3,(H,20,23)
InChIKeyJAIJWUIGCCHGGO-UHFFFAOYSA-N
MW352.27 g/mol
LogP3.29
Rot. Bonds6

About 3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide

3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide (PubChem CID 134025831) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is 3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide
PubChem CID134025831
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC Name3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide
SMILESCN(C)C(CNC(=O)c1nc(Cl)ccc1Cl)Cc1ccccc1
InChIInChI=1S/C17H19Cl2N3O/c1-22(2)13(10-12-6-4-3-5-7-12)11-20-17(23)16-14(18)8-9-15(19)21-16/h3-9,13H,10-11H2,1-2H3,(H,20,23)
InChIKeyJAIJWUIGCCHGGO-UHFFFAOYSA-N
XLogP3.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 86918031
5-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55833945
2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 51111727
2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide
CID 51150496
2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide
CID 51251317
5-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 51150469
3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 26518394
4-[(3,6-dichloropyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 114037038
4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide
CID 4876896
7-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-1,3-benzodioxole-5-carboxamide
CID 51265230
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787
N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide
CID 42907096

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide (CID 134025831) is 3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide is CN(C)C(CNC(=O)c1nc(Cl)ccc1Cl)Cc1ccccc1.
What is the InChIKey of 3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide?
The InChIKey is JAIJWUIGCCHGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-22(2)13(10-12-6-4-3-5-7-12)11-20-17(23)16-14(18)8-9-15(19)21-16/h3-9,13H,10-11H2,1-2H3,(H,20,23).
What are the key properties of 3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide?
3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide has a molecular weight of 352.27 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide is sourced from PubChem (CID 134025831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).