N-[4-[chloro(difluoro)methoxy]phenyl]-5,6-dimethylpyridine-3-carboxamide

C15H13ClF2N2O2 — CID 145388893

IUPACN-[4-[chloro(difluoro)methoxy]phenyl]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cnc1C
InChIInChI=1S/C15H13ClF2N2O2/c1-9-7-11(8-19-10(9)2)14(21)20-12-3-5-13(6-4-12)22-15(16,17)18/h3-8H,1-2H3,(H,20,21)
InChIKeyFVMUXFLATDOZSP-UHFFFAOYSA-N
MW326.73 g/mol
LogP4.12
Rot. Bonds4

About N-[4-[chloro(difluoro)methoxy]phenyl]-5,6-dimethylpyridine-3-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-5,6-dimethylpyridine-3-carboxamide (PubChem CID 145388893) has the molecular formula C15H13ClF2N2O2 and a molecular weight of 326.73 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-5,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methoxy]phenyl]-5,6-dimethylpyridine-3-carboxamide
PubChem CID145388893
Molecular FormulaC15H13ClF2N2O2
Molecular Weight326.73 g/mol
Exact Mass326.06
IUPAC NameN-[4-[chloro(difluoro)methoxy]phenyl]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cnc1C
InChIInChI=1S/C15H13ClF2N2O2/c1-9-7-11(8-19-10(9)2)14(21)20-12-3-5-13(6-4-12)22-15(16,17)18/h3-8H,1-2H3,(H,20,21)
InChIKeyFVMUXFLATDOZSP-UHFFFAOYSA-N
XLogP4.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.73
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-ethylpyridine-3-carboxamide
CID 123668156
N-[4-(1,1-difluoroethoxy)phenyl]-5-(6-fluoro-3-pyridinyl)-6-methylpyridine-3-carboxamide
CID 147580411
N-[4-[chloro(difluoro)methoxy]phenyl]-6-methyl-5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide
CID 145388805
N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-hydroxy-3-methylazetidin-1-yl)-5-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 121474328
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(1S,5R)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 177135457
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 118919395
5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(2-methylsulfanylethyl)amino]pyridine-3-carboxamide
CID 145388853
2-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-6-methoxypyridine-4-carboxamide
CID 166563677
5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoropyrrol-1-yl)pyridine-3-carboxamide
CID 156894881
N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-hydroxypyrrolidin-1-yl)-5-(4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 118195396
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 118919405
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide
CID 142402507

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-5,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-5,6-dimethylpyridine-3-carboxamide (CID 145388893) is N-[4-[chloro(difluoro)methoxy]phenyl]-5,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-5,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-5,6-dimethylpyridine-3-carboxamide is Cc1cc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cnc1C.
What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-5,6-dimethylpyridine-3-carboxamide?
The InChIKey is FVMUXFLATDOZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O2/c1-9-7-11(8-19-10(9)2)14(21)20-12-3-5-13(6-4-12)22-15(16,17)18/h3-8H,1-2H3,(H,20,21).
What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-5,6-dimethylpyridine-3-carboxamide?
N-[4-[chloro(difluoro)methoxy]phenyl]-5,6-dimethylpyridine-3-carboxamide has a molecular weight of 326.73 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methoxy]phenyl]-5,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 145388893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).