4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide

C23H20Cl2N4O3 — CID 10412466

IUPAC4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(C3(NC(=O)Nc4ccc(Cl)cc4Cl)CC3)cc2)ccn1
InChIInChI=1S/C23H20Cl2N4O3/c1-26-21(30)20-13-17(8-11-27-20)32-16-5-2-14(3-6-16)23(9-10-23)29-22(31)28-19-7-4-15(24)12-18(19)25/h2-8,11-13H,9-10H2,1H3,(H,26,30)(H2,28,29,31)
InChIKeyYMHIPUSYCAKTNA-UHFFFAOYSA-N
MW471.34 g/mol
LogP5.35
Rot. Bonds6

About 4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 10412466) has the molecular formula C23H20Cl2N4O3 and a molecular weight of 471.34 g/mol. Its IUPAC name is 4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID10412466
Molecular FormulaC23H20Cl2N4O3
Molecular Weight471.34 g/mol
Exact Mass470.09
IUPAC Name4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(C3(NC(=O)Nc4ccc(Cl)cc4Cl)CC3)cc2)ccn1
InChIInChI=1S/C23H20Cl2N4O3/c1-26-21(30)20-13-17(8-11-27-20)32-16-5-2-14(3-6-16)23(9-10-23)29-22(31)28-19-7-4-15(24)12-18(19)25/h2-8,11-13H,9-10H2,1H3,(H,26,30)(H2,28,29,31)
InChIKeyYMHIPUSYCAKTNA-UHFFFAOYSA-N
XLogP5.35
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.34
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[1-[(3,5-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 10004954
4-[3-[1-[(2,4-dichlorophenyl)carbamoylamino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 10411867
1-(2,4-dichlorophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215347
4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 10433934
4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11224505
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735
4-[4-[(2,5-difluorophenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 131953293
1-N'-[2-chloro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 154633283
4-[3-chloro-4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58385495
4-[4-[[4-chloro-3-(trifluoromethoxy)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 155813764
4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide
CID 23614583

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide (CID 10412466) is 4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(C3(NC(=O)Nc4ccc(Cl)cc4Cl)CC3)cc2)ccn1.
What is the InChIKey of 4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is YMHIPUSYCAKTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O3/c1-26-21(30)20-13-17(8-11-27-20)32-16-5-2-14(3-6-16)23(9-10-23)29-22(31)28-19-7-4-15(24)12-18(19)25/h2-8,11-13H,9-10H2,1H3,(H,26,30)(H2,28,29,31).
What are the key properties of 4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 471.34 g/mol, XLogP of 5.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 10412466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).