N-[6-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-3-pyridinyl]-4-methylpyridine-3-carboxamide

C25H19F2N3O3 — CID 10388913

IUPACN-[6-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-3-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1ccc(Oc2ccc(OCc3cc(F)ccc3F)cc2)nc1
InChIInChI=1S/C25H19F2N3O3/c1-16-10-11-28-14-22(16)25(31)30-19-3-9-24(29-13-19)33-21-6-4-20(5-7-21)32-15-17-12-18(26)2-8-23(17)27/h2-14H,15H2,1H3,(H,30,31)
InChIKeyLAKNEXQEOVHOEQ-UHFFFAOYSA-N
MW447.44 g/mol
LogP5.69
Rot. Bonds7

About N-[6-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-3-pyridinyl]-4-methylpyridine-3-carboxamide

N-[6-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-3-pyridinyl]-4-methylpyridine-3-carboxamide (PubChem CID 10388913) has the molecular formula C25H19F2N3O3 and a molecular weight of 447.44 g/mol. Its IUPAC name is N-[6-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-3-pyridinyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-3-pyridinyl]-4-methylpyridine-3-carboxamide
PubChem CID10388913
Molecular FormulaC25H19F2N3O3
Molecular Weight447.44 g/mol
Exact Mass447.14
IUPAC NameN-[6-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-3-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1ccc(Oc2ccc(OCc3cc(F)ccc3F)cc2)nc1
InChIInChI=1S/C25H19F2N3O3/c1-16-10-11-28-14-22(16)25(31)30-19-3-9-24(29-13-19)33-21-6-4-20(5-7-21)32-15-17-12-18(26)2-8-23(17)27/h2-14H,15H2,1H3,(H,30,31)
InChIKeyLAKNEXQEOVHOEQ-UHFFFAOYSA-N
XLogP5.69
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.44
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 75375551
N-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55971881
4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 55713973
N-(4-ethylphenyl)-4-methylpyridine-3-carboxamide
CID 110857788
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55964061
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112826522
5-(ethylsulfamoyl)-2-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide
CID 55971765
3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446392
2-(difluoromethylsulfanyl)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 55972392
N-[6-(3-fluorophenoxy)-3-pyridinyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 84584077
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide
CID 81233280

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-3-pyridinyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[6-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-3-pyridinyl]-4-methylpyridine-3-carboxamide (CID 10388913) is N-[6-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-3-pyridinyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[6-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-3-pyridinyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[6-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-3-pyridinyl]-4-methylpyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1ccc(Oc2ccc(OCc3cc(F)ccc3F)cc2)nc1.
What is the InChIKey of N-[6-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-3-pyridinyl]-4-methylpyridine-3-carboxamide?
The InChIKey is LAKNEXQEOVHOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N3O3/c1-16-10-11-28-14-22(16)25(31)30-19-3-9-24(29-13-19)33-21-6-4-20(5-7-21)32-15-17-12-18(26)2-8-23(17)27/h2-14H,15H2,1H3,(H,30,31).
What are the key properties of N-[6-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-3-pyridinyl]-4-methylpyridine-3-carboxamide?
N-[6-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-3-pyridinyl]-4-methylpyridine-3-carboxamide has a molecular weight of 447.44 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-3-pyridinyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 10388913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).