[4-[4-[[4-(4-chlorophenyl)-1H-pyrrole-2-carbonyl]amino]phenoxy]-2-pyridinyl] N-methylcarbamate

C24H19ClN4O4 — CID 67772888

IUPAC[4-[4-[[4-(4-chlorophenyl)-1H-pyrrole-2-carbonyl]amino]phenoxy]-2-pyridinyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(Oc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)c[nH]3)cc2)ccn1
InChIInChI=1S/C24H19ClN4O4/c1-26-24(31)33-22-13-20(10-11-27-22)32-19-8-6-18(7-9-19)29-23(30)21-12-16(14-28-21)15-2-4-17(25)5-3-15/h2-14,28H,1H3,(H,26,31)(H,29,30)
InChIKeyWGRKROCCMTUKSX-UHFFFAOYSA-N
MW462.89 g/mol
LogP5.49
Rot. Bonds6

About [4-[4-[[4-(4-chlorophenyl)-1H-pyrrole-2-carbonyl]amino]phenoxy]-2-pyridinyl] N-methylcarbamate

[4-[4-[[4-(4-chlorophenyl)-1H-pyrrole-2-carbonyl]amino]phenoxy]-2-pyridinyl] N-methylcarbamate (PubChem CID 67772888) has the molecular formula C24H19ClN4O4 and a molecular weight of 462.89 g/mol. Its IUPAC name is [4-[4-[[4-(4-chlorophenyl)-1H-pyrrole-2-carbonyl]amino]phenoxy]-2-pyridinyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-[4-[[4-(4-chlorophenyl)-1H-pyrrole-2-carbonyl]amino]phenoxy]-2-pyridinyl] N-methylcarbamate
PubChem CID67772888
Molecular FormulaC24H19ClN4O4
Molecular Weight462.89 g/mol
Exact Mass462.11
IUPAC Name[4-[4-[[4-(4-chlorophenyl)-1H-pyrrole-2-carbonyl]amino]phenoxy]-2-pyridinyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(Oc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)c[nH]3)cc2)ccn1
InChIInChI=1S/C24H19ClN4O4/c1-26-24(31)33-22-13-20(10-11-27-22)32-19-8-6-18(7-9-19)29-23(30)21-12-16(14-28-21)15-2-4-17(25)5-3-15/h2-14,28H,1H3,(H,26,31)(H,29,30)
InChIKeyWGRKROCCMTUKSX-UHFFFAOYSA-N
XLogP5.49
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.89
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-[4-[[4-(4-chlorophenyl)-1H-pyrrole-2-carbonyl]amino]phenoxy]-2-pyridinyl] N-methylcarbamate with MolForge

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Related Compounds

N-(4-chlorophenyl)-4-(4-phenoxyphenyl)-1H-pyrrole-2-carboxamide
CID 69056503
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735
[4-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]phenoxy]-2-pyridinyl] N-methylcarbamate
CID 91524506
5-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide
CID 127036195
4-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 166218692
[4-(4-phenoxyphenyl)-1H-pyrrol-2-yl] N-(4-pyridin-4-yloxyphenyl)carbamate
CID 67775336
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037
4-[4-(carbamoylamino)phenoxy]-N-methyl-1H-pyrrole-2-carboxamide
CID 141180654
4-N-(4-chlorophenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092859

Frequently Asked Questions

What is the IUPAC name of [4-[4-[[4-(4-chlorophenyl)-1H-pyrrole-2-carbonyl]amino]phenoxy]-2-pyridinyl] N-methylcarbamate?
The IUPAC name of [4-[4-[[4-(4-chlorophenyl)-1H-pyrrole-2-carbonyl]amino]phenoxy]-2-pyridinyl] N-methylcarbamate (CID 67772888) is [4-[4-[[4-(4-chlorophenyl)-1H-pyrrole-2-carbonyl]amino]phenoxy]-2-pyridinyl] N-methylcarbamate.
What is the SMILES notation for [4-[4-[[4-(4-chlorophenyl)-1H-pyrrole-2-carbonyl]amino]phenoxy]-2-pyridinyl] N-methylcarbamate?
The canonical SMILES for [4-[4-[[4-(4-chlorophenyl)-1H-pyrrole-2-carbonyl]amino]phenoxy]-2-pyridinyl] N-methylcarbamate is CNC(=O)Oc1cc(Oc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)c[nH]3)cc2)ccn1.
What is the InChIKey of [4-[4-[[4-(4-chlorophenyl)-1H-pyrrole-2-carbonyl]amino]phenoxy]-2-pyridinyl] N-methylcarbamate?
The InChIKey is WGRKROCCMTUKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O4/c1-26-24(31)33-22-13-20(10-11-27-22)32-19-8-6-18(7-9-19)29-23(30)21-12-16(14-28-21)15-2-4-17(25)5-3-15/h2-14,28H,1H3,(H,26,31)(H,29,30).
What are the key properties of [4-[4-[[4-(4-chlorophenyl)-1H-pyrrole-2-carbonyl]amino]phenoxy]-2-pyridinyl] N-methylcarbamate?
[4-[4-[[4-(4-chlorophenyl)-1H-pyrrole-2-carbonyl]amino]phenoxy]-2-pyridinyl] N-methylcarbamate has a molecular weight of 462.89 g/mol, XLogP of 5.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[[4-(4-chlorophenyl)-1H-pyrrole-2-carbonyl]amino]phenoxy]-2-pyridinyl] N-methylcarbamate is sourced from PubChem (CID 67772888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).