2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide

C17H19Cl2N3O — CID 86918031

IUPAC2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
SMILESCN(C)C(CNC(=O)c1cc(Cl)nc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C17H19Cl2N3O/c1-22(2)14(8-12-6-4-3-5-7-12)11-20-17(23)13-9-15(18)21-16(19)10-13/h3-7,9-10,14H,8,11H2,1-2H3,(H,20,23)
InChIKeyTXCYXIDGYPICCU-UHFFFAOYSA-N
MW352.27 g/mol
LogP3.29
Rot. Bonds6

About 2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide

2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide (PubChem CID 86918031) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
PubChem CID86918031
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC Name2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
SMILESCN(C)C(CNC(=O)c1cc(Cl)nc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C17H19Cl2N3O/c1-22(2)14(8-12-6-4-3-5-7-12)11-20-17(23)13-9-15(18)21-16(19)10-13/h3-7,9-10,14H,8,11H2,1-2H3,(H,20,23)
InChIKeyTXCYXIDGYPICCU-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-chloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 51111727
3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide
CID 134025831
7-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-1,3-benzodioxole-5-carboxamide
CID 51265230
N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide
CID 42907096
2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide
CID 51251317
N-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55450378
N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide
CID 51150482
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 8794851
2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide
CID 51150496
2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673888
4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide
CID 4876896
N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 51186413

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide (CID 86918031) is 2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide is CN(C)C(CNC(=O)c1cc(Cl)nc(Cl)c1)Cc1ccccc1.
What is the InChIKey of 2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide?
The InChIKey is TXCYXIDGYPICCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-22(2)14(8-12-6-4-3-5-7-12)11-20-17(23)13-9-15(18)21-16(19)10-13/h3-7,9-10,14H,8,11H2,1-2H3,(H,20,23).
What are the key properties of 2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide?
2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-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 2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide is sourced from PubChem (CID 86918031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).