4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

C23H19ClN4O4 — CID 10433934

IUPAC4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc4c(c3)CC(=O)C4)c(Cl)c2)ccn1
InChIInChI=1S/C23H19ClN4O4/c1-25-22(30)21-12-18(6-7-26-21)32-17-4-5-20(19(24)11-17)28-23(31)27-15-3-2-13-9-16(29)10-14(13)8-15/h2-8,11-12H,9-10H2,1H3,(H,25,30)(H2,27,28,31)
InChIKeyKHFDKSSPSVKXQP-UHFFFAOYSA-N
MW450.88 g/mol
LogP4.20
Rot. Bonds5

About 4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 10433934) has the molecular formula C23H19ClN4O4 and a molecular weight of 450.88 g/mol. Its IUPAC name is 4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID10433934
Molecular FormulaC23H19ClN4O4
Molecular Weight450.88 g/mol
Exact Mass450.11
IUPAC Name4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc4c(c3)CC(=O)C4)c(Cl)c2)ccn1
InChIInChI=1S/C23H19ClN4O4/c1-25-22(30)21-12-18(6-7-26-21)32-17-4-5-20(19(24)11-17)28-23(31)27-15-3-2-13-9-16(29)10-14(13)8-15/h2-8,11-12H,9-10H2,1H3,(H,25,30)(H2,27,28,31)
InChIKeyKHFDKSSPSVKXQP-UHFFFAOYSA-N
XLogP4.20
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.88
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

4-[4-[(4-chloro-3-propan-2-ylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 155808888
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 155813322
4-[4-[[4-chloro-3-(trifluoromethoxy)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 155813764
N-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255
4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 10412466
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-[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-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 139036241
butanedioic acid;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 44598971
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;pentane
CID 144702966
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (CID 10433934) is 4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc4c(c3)CC(=O)C4)c(Cl)c2)ccn1.
What is the InChIKey of 4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is KHFDKSSPSVKXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O4/c1-25-22(30)21-12-18(6-7-26-21)32-17-4-5-20(19(24)11-17)28-23(31)27-15-3-2-13-9-16(29)10-14(13)8-15/h2-8,11-12H,9-10H2,1H3,(H,25,30)(H2,27,28,31).
What are the key properties of 4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 450.88 g/mol, XLogP of 4.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 10433934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).