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

C15H12Cl2F2N2O2 — CID 123668156

IUPAC6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-ethylpyridine-3-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cnc1Cl
InChIInChI=1S/C15H12Cl2F2N2O2/c1-2-9-7-10(8-20-13(9)16)14(22)21-11-3-5-12(6-4-11)23-15(17,18)19/h3-8H,2H2,1H3,(H,21,22)
InChIKeyKYCYTSRZOXKIGN-UHFFFAOYSA-N
MW361.18 g/mol
LogP4.72
Rot. Bonds5

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

6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-ethylpyridine-3-carboxamide (PubChem CID 123668156) has the molecular formula C15H12Cl2F2N2O2 and a molecular weight of 361.18 g/mol. Its IUPAC name is 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-ethylpyridine-3-carboxamide
PubChem CID123668156
Molecular FormulaC15H12Cl2F2N2O2
Molecular Weight361.18 g/mol
Exact Mass360.02
IUPAC Name6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-ethylpyridine-3-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cnc1Cl
InChIInChI=1S/C15H12Cl2F2N2O2/c1-2-9-7-10(8-20-13(9)16)14(22)21-11-3-5-12(6-4-11)23-15(17,18)19/h3-8H,2H2,1H3,(H,21,22)
InChIKeyKYCYTSRZOXKIGN-UHFFFAOYSA-N
XLogP4.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[chloro(difluoro)methoxy]phenyl]-5,6-dimethylpyridine-3-carboxamide
CID 145388893
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 118919395
6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-3-yl)pyridine-3-carboxamide
CID 166662320
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 134506868
2-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-6-methoxypyridine-4-carboxamide
CID 166563677
5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(2-methylsulfanylethyl)amino]pyridine-3-carboxamide
CID 145388853
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 118919405
5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoropyrrol-1-yl)pyridine-3-carboxamide
CID 156894881
5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-methylsulfinylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 145388899
N-[4-[chloro(difluoro)methoxy]phenyl]-5-cyano-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135258178
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 163210769
5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[3-(hydroxyamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 146186595

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-ethylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-ethylpyridine-3-carboxamide (CID 123668156) is 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-ethylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-ethylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-ethylpyridine-3-carboxamide is CCc1cc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cnc1Cl.
What is the InChIKey of 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-ethylpyridine-3-carboxamide?
The InChIKey is KYCYTSRZOXKIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2N2O2/c1-2-9-7-10(8-20-13(9)16)14(22)21-11-3-5-12(6-4-11)23-15(17,18)19/h3-8H,2H2,1H3,(H,21,22).
What are the key properties of 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-ethylpyridine-3-carboxamide?
6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-ethylpyridine-3-carboxamide has a molecular weight of 361.18 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-ethylpyridine-3-carboxamide is sourced from PubChem (CID 123668156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).