N-[4-(1,1-difluoroethoxy)phenyl]-5-(6-fluoro-3-pyridinyl)-6-methylpyridine-3-carboxamide

C20H16F3N3O2 — CID 147580411

IUPACN-[4-(1,1-difluoroethoxy)phenyl]-5-(6-fluoro-3-pyridinyl)-6-methylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(OC(C)(F)F)cc2)cc1-c1ccc(F)nc1
InChIInChI=1S/C20H16F3N3O2/c1-12-17(13-3-8-18(21)25-10-13)9-14(11-24-12)19(27)26-15-4-6-16(7-5-15)28-20(2,22)23/h3-11H,1-2H3,(H,26,27)
InChIKeyFWHPBPIJWRACRL-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.83
Rot. Bonds5

About N-[4-(1,1-difluoroethoxy)phenyl]-5-(6-fluoro-3-pyridinyl)-6-methylpyridine-3-carboxamide

N-[4-(1,1-difluoroethoxy)phenyl]-5-(6-fluoro-3-pyridinyl)-6-methylpyridine-3-carboxamide (PubChem CID 147580411) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is N-[4-(1,1-difluoroethoxy)phenyl]-5-(6-fluoro-3-pyridinyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1-difluoroethoxy)phenyl]-5-(6-fluoro-3-pyridinyl)-6-methylpyridine-3-carboxamide
PubChem CID147580411
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC NameN-[4-(1,1-difluoroethoxy)phenyl]-5-(6-fluoro-3-pyridinyl)-6-methylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(OC(C)(F)F)cc2)cc1-c1ccc(F)nc1
InChIInChI=1S/C20H16F3N3O2/c1-12-17(13-3-8-18(21)25-10-13)9-14(11-24-12)19(27)26-15-4-6-16(7-5-15)28-20(2,22)23/h3-11H,1-2H3,(H,26,27)
InChIKeyFWHPBPIJWRACRL-UHFFFAOYSA-N
XLogP4.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[chloro(difluoro)methoxy]phenyl]-5,6-dimethylpyridine-3-carboxamide
CID 145388893
6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919387
6-(3-hydroxypropylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118195381
4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-pyridin-3-ylbenzamide
CID 145388784
6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118195076
N-[4-(1,1-difluoroethoxy)phenyl]-5-pyrazin-2-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 146184263
4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-methylbenzamide
CID 145388897
N-[4-[chloro(difluoro)methoxy]phenyl]-6-methyl-5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide
CID 145388805
6-[butyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919391
5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 12987868
5-(2,6-difluoro-4-pyridinyl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 123948489
6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-ethylpyridine-3-carboxamide
CID 123668156

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-difluoroethoxy)phenyl]-5-(6-fluoro-3-pyridinyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-(1,1-difluoroethoxy)phenyl]-5-(6-fluoro-3-pyridinyl)-6-methylpyridine-3-carboxamide (CID 147580411) is N-[4-(1,1-difluoroethoxy)phenyl]-5-(6-fluoro-3-pyridinyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(1,1-difluoroethoxy)phenyl]-5-(6-fluoro-3-pyridinyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(1,1-difluoroethoxy)phenyl]-5-(6-fluoro-3-pyridinyl)-6-methylpyridine-3-carboxamide is Cc1ncc(C(=O)Nc2ccc(OC(C)(F)F)cc2)cc1-c1ccc(F)nc1.
What is the InChIKey of N-[4-(1,1-difluoroethoxy)phenyl]-5-(6-fluoro-3-pyridinyl)-6-methylpyridine-3-carboxamide?
The InChIKey is FWHPBPIJWRACRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-12-17(13-3-8-18(21)25-10-13)9-14(11-24-12)19(27)26-15-4-6-16(7-5-15)28-20(2,22)23/h3-11H,1-2H3,(H,26,27).
What are the key properties of N-[4-(1,1-difluoroethoxy)phenyl]-5-(6-fluoro-3-pyridinyl)-6-methylpyridine-3-carboxamide?
N-[4-(1,1-difluoroethoxy)phenyl]-5-(6-fluoro-3-pyridinyl)-6-methylpyridine-3-carboxamide has a molecular weight of 387.36 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-difluoroethoxy)phenyl]-5-(6-fluoro-3-pyridinyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 147580411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).