4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide

C23H20ClFN4O4 — CID 155813322

IUPAC4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(OC4CC4)c3)c(F)c2)ccn1
InChIInChI=1S/C23H20ClFN4O4/c1-26-22(30)20-12-16(8-9-27-20)32-15-5-7-19(18(25)11-15)29-23(31)28-13-2-6-17(24)21(10-13)33-14-3-4-14/h2,5-12,14H,3-4H2,1H3,(H,26,30)(H2,28,29,31)
InChIKeyPZJAVFJPADMRDZ-UHFFFAOYSA-N
MW470.89 g/mol
LogP5.21
Rot. Bonds7

About 4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide

4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 155813322) has the molecular formula C23H20ClFN4O4 and a molecular weight of 470.89 g/mol. Its IUPAC name is 4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
PubChem CID155813322
Molecular FormulaC23H20ClFN4O4
Molecular Weight470.89 g/mol
Exact Mass470.12
IUPAC Name4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(OC4CC4)c3)c(F)c2)ccn1
InChIInChI=1S/C23H20ClFN4O4/c1-26-22(30)20-12-16(8-9-27-20)32-15-5-7-19(18(25)11-15)29-23(31)28-13-2-6-17(24)21(10-13)33-14-3-4-14/h2,5-12,14H,3-4H2,1H3,(H,26,30)(H2,28,29,31)
InChIKeyPZJAVFJPADMRDZ-UHFFFAOYSA-N
XLogP5.21
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.89
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[[4-chloro-3-(trifluoromethoxy)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 155813764
4-[4-[(4-chloro-3-propan-2-ylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 155808888
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]phenoxy]-N-methylpyridine-2-carboxamide
CID 125337923
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;pentane
CID 144702966
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;hydrate
CID 91810343
4-[4-[(4-chloro-3-methylphenyl)carbamothioylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 159662523
4-[3-fluoro-4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 10436350
4-[4-[[4-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58919833
4-[4-[(2,5-difluorophenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 131953293
4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 10433934
4-[4-[[2-chloro-3-piperidin-4-yloxy-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 69491587
N-methyl-4-[4-[[2-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58919781

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide (CID 155813322) is 4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(OC4CC4)c3)c(F)c2)ccn1.
What is the InChIKey of 4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is PZJAVFJPADMRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O4/c1-26-22(30)20-12-16(8-9-27-20)32-15-5-7-19(18(25)11-15)29-23(31)28-13-2-6-17(24)21(10-13)33-14-3-4-14/h2,5-12,14H,3-4H2,1H3,(H,26,30)(H2,28,29,31).
What are the key properties of 4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 470.89 g/mol, XLogP of 5.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 155813322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).