5,6-dichloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide

C16H15Cl2FN2O — CID 9051064

IUPAC5,6-dichloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H15Cl2FN2O/c1-9(2)14(10-3-5-12(19)6-4-10)21-16(22)11-7-13(17)15(18)20-8-11/h3-9,14H,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyQBKLGBPFKRCVGH-CQSZACIVSA-N
MW341.21 g/mol
LogP4.65
Rot. Bonds4

About 5,6-dichloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide

5,6-dichloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide (PubChem CID 9051064) has the molecular formula C16H15Cl2FN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 5,6-dichloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide
PubChem CID9051064
Molecular FormulaC16H15Cl2FN2O
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC Name5,6-dichloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H15Cl2FN2O/c1-9(2)14(10-3-5-12(19)6-4-10)21-16(22)11-7-13(17)15(18)20-8-11/h3-9,14H,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyQBKLGBPFKRCVGH-CQSZACIVSA-N
XLogP4.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.65
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

4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670865
4-fluoro-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670868
5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 47162672
4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
CID 31607589
N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 47097753
N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide
CID 47009683
5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79027668
5,6-dichloro-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]pyridine-3-carboxamide
CID 7999529
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763621
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 46828410
5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 43399464
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide (CID 9051064) is 5,6-dichloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide is CC(C)[C@@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 5,6-dichloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide?
The InChIKey is QBKLGBPFKRCVGH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O/c1-9(2)14(10-3-5-12(19)6-4-10)21-16(22)11-7-13(17)15(18)20-8-11/h3-9,14H,1-2H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 5,6-dichloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide?
5,6-dichloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide has a molecular weight of 341.21 g/mol, XLogP of 4.65, 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-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide is sourced from PubChem (CID 9051064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).