4-[4-[1-[(3,5-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide

C23H20Cl2N4O3 — CID 10004954

IUPAC4-[4-[1-[(3,5-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(C3(NC(=O)Nc4cc(Cl)cc(Cl)c4)CC3)cc2)ccn1
InChIInChI=1S/C23H20Cl2N4O3/c1-26-21(30)20-13-19(6-9-27-20)32-18-4-2-14(3-5-18)23(7-8-23)29-22(31)28-17-11-15(24)10-16(25)12-17/h2-6,9-13H,7-8H2,1H3,(H,26,30)(H2,28,29,31)
InChIKeyAREYSBHEKYFAMY-UHFFFAOYSA-N
MW471.34 g/mol
LogP5.35
Rot. Bonds6

About 4-[4-[1-[(3,5-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[1-[(3,5-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 10004954) has the molecular formula C23H20Cl2N4O3 and a molecular weight of 471.34 g/mol. Its IUPAC name is 4-[4-[1-[(3,5-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[1-[(3,5-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID10004954
Molecular FormulaC23H20Cl2N4O3
Molecular Weight471.34 g/mol
Exact Mass470.09
IUPAC Name4-[4-[1-[(3,5-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(C3(NC(=O)Nc4cc(Cl)cc(Cl)c4)CC3)cc2)ccn1
InChIInChI=1S/C23H20Cl2N4O3/c1-26-21(30)20-13-19(6-9-27-20)32-18-4-2-14(3-5-18)23(7-8-23)29-22(31)28-17-11-15(24)10-16(25)12-17/h2-6,9-13H,7-8H2,1H3,(H,26,30)(H2,28,29,31)
InChIKeyAREYSBHEKYFAMY-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-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 10412466
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
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-[4-[[4-chloro-1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 174280966
4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide
CID 23614583
4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 139036241
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
N-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255
4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 73388161
4-[4-(2H-benzotriazol-5-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide
CID 10318982
4-[4-[(2-fluoro-5-iodophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743251

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[(3,5-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[1-[(3,5-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide (CID 10004954) is 4-[4-[1-[(3,5-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[1-[(3,5-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[1-[(3,5-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(C3(NC(=O)Nc4cc(Cl)cc(Cl)c4)CC3)cc2)ccn1.
What is the InChIKey of 4-[4-[1-[(3,5-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is AREYSBHEKYFAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O3/c1-26-21(30)20-13-19(6-9-27-20)32-18-4-2-14(3-5-18)23(7-8-23)29-22(31)28-17-11-15(24)10-16(25)12-17/h2-6,9-13H,7-8H2,1H3,(H,26,30)(H2,28,29,31).
What are the key properties of 4-[4-[1-[(3,5-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[1-[(3,5-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-[(3,5-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 10004954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).