carbamoyl 4-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate

C25H24ClN5O6 — CID 91324843

IUPACcarbamoyl 4-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate
SMILESNC(=O)OC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(OC4CCNCC4)c(Cl)c3)cc2)ccn1
InChIInChI=1S/C25H24ClN5O6/c26-20-13-16(3-6-22(20)36-18-7-10-28-11-8-18)31-25(34)30-15-1-4-17(5-2-15)35-19-9-12-29-21(14-19)23(32)37-24(27)33/h1-6,9,12-14,18,28H,7-8,10-11H2,(H2,27,33)(H2,30,31,34)
InChIKeyFEPFHNXLQKDJHH-UHFFFAOYSA-N
MW525.95 g/mol
LogP4.54
Rot. Bonds7

About carbamoyl 4-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate

carbamoyl 4-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate (PubChem CID 91324843) has the molecular formula C25H24ClN5O6 and a molecular weight of 525.95 g/mol. Its IUPAC name is carbamoyl 4-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Namecarbamoyl 4-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate
PubChem CID91324843
Molecular FormulaC25H24ClN5O6
Molecular Weight525.95 g/mol
Exact Mass525.14
IUPAC Namecarbamoyl 4-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate
SMILESNC(=O)OC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(OC4CCNCC4)c(Cl)c3)cc2)ccn1
InChIInChI=1S/C25H24ClN5O6/c26-20-13-16(3-6-22(20)36-18-7-10-28-11-8-18)31-25(34)30-15-1-4-17(5-2-15)35-19-9-12-29-21(14-19)23(32)37-24(27)33/h1-6,9,12-14,18,28H,7-8,10-11H2,(H2,27,33)(H2,30,31,34)
InChIKeyFEPFHNXLQKDJHH-UHFFFAOYSA-N
XLogP4.54
TPSA153.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.95
LogP ≤ 54.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze carbamoyl 4-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate with MolForge

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Related Compounds

carbamoyl 4-[4-[[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxylate
CID 90766752
N-methyl-4-[4-[[2-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58919781
4-[4-[[4-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58919833
4-[4-[[2-chloro-3-piperidin-4-yloxy-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 69491587
methyl 4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate
CID 71248936
carbamoyl 4-(3-amino-4-chlorophenoxy)pyridine-2-carboxylate
CID 91052781
carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 90856634
carbamoyl 4-[4-[[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxylate
CID 91085989
4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 143453790
carbamoyl 4-[4-[(2-fluoro-5-methylsulfonylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate
CID 91001608
carbamoyl 4-[4-[[2-(pyridine-4-carbonylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxylate
CID 90869605
4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 155813322

Frequently Asked Questions

What is the IUPAC name of carbamoyl 4-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate?
The IUPAC name of carbamoyl 4-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate (CID 91324843) is carbamoyl 4-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate.
What is the SMILES notation for carbamoyl 4-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate?
The canonical SMILES for carbamoyl 4-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate is NC(=O)OC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(OC4CCNCC4)c(Cl)c3)cc2)ccn1.
What is the InChIKey of carbamoyl 4-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate?
The InChIKey is FEPFHNXLQKDJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O6/c26-20-13-16(3-6-22(20)36-18-7-10-28-11-8-18)31-25(34)30-15-1-4-17(5-2-15)35-19-9-12-29-21(14-19)23(32)37-24(27)33/h1-6,9,12-14,18,28H,7-8,10-11H2,(H2,27,33)(H2,30,31,34).
What are the key properties of carbamoyl 4-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate?
carbamoyl 4-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate has a molecular weight of 525.95 g/mol, XLogP of 4.54, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 4-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate is sourced from PubChem (CID 91324843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).