5,6-dichloro-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide

C16H16Cl2N2O — CID 60748585

IUPAC5,6-dichloro-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
SMILESCC(C)(CNC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c1-16(2,12-6-4-3-5-7-12)10-20-15(21)11-8-13(17)14(18)19-9-11/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyIXQTUOKNBVZYSC-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.10
Rot. Bonds4

About 5,6-dichloro-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide

5,6-dichloro-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide (PubChem CID 60748585) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 5,6-dichloro-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
PubChem CID60748585
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name5,6-dichloro-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
SMILESCC(C)(CNC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c1-16(2,12-6-4-3-5-7-12)10-20-15(21)11-8-13(17)14(18)19-9-11/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyIXQTUOKNBVZYSC-UHFFFAOYSA-N
XLogP4.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide
CID 113226390
4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 81228566
5,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 113239579
3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944
3,4-dimethyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 113090275
5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide
CID 61140358
5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 46462401
methyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate
CID 46400629
3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide
CID 110474878
5-[(5,6-dichloropyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682536
4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide
CID 39698452
N-(2-methyl-2-phenylpropyl)thiophene-3-carboxamide
CID 39700914

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide (CID 60748585) is 5,6-dichloro-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide is CC(C)(CNC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 5,6-dichloro-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is IXQTUOKNBVZYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-16(2,12-6-4-3-5-7-12)10-20-15(21)11-8-13(17)14(18)19-9-11/h3-9H,10H2,1-2H3,(H,20,21).
What are the key properties of 5,6-dichloro-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide?
5,6-dichloro-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide has a molecular weight of 323.22 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 60748585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).