[4-(4-phenoxyphenyl)-1H-pyrrol-2-yl] N-(4-pyridin-4-yloxyphenyl)carbamate

C28H21N3O4 — CID 67775336

IUPAC[4-(4-phenoxyphenyl)-1H-pyrrol-2-yl] N-(4-pyridin-4-yloxyphenyl)carbamate
SMILESO=C(Nc1ccc(Oc2ccncc2)cc1)Oc1cc(-c2ccc(Oc3ccccc3)cc2)c[nH]1
InChIInChI=1S/C28H21N3O4/c32-28(31-22-8-12-25(13-9-22)34-26-14-16-29-17-15-26)35-27-18-21(19-30-27)20-6-10-24(11-7-20)33-23-4-2-1-3-5-23/h1-19,30H,(H,31,32)
InChIKeyWTBCQTHCYXAZEC-UHFFFAOYSA-N
MW463.49 g/mol
LogP7.27
Rot. Bonds7

About [4-(4-phenoxyphenyl)-1H-pyrrol-2-yl] N-(4-pyridin-4-yloxyphenyl)carbamate

[4-(4-phenoxyphenyl)-1H-pyrrol-2-yl] N-(4-pyridin-4-yloxyphenyl)carbamate (PubChem CID 67775336) has the molecular formula C28H21N3O4 and a molecular weight of 463.49 g/mol. Its IUPAC name is [4-(4-phenoxyphenyl)-1H-pyrrol-2-yl] N-(4-pyridin-4-yloxyphenyl)carbamate.

Molecular Properties

Compound Name[4-(4-phenoxyphenyl)-1H-pyrrol-2-yl] N-(4-pyridin-4-yloxyphenyl)carbamate
PubChem CID67775336
Molecular FormulaC28H21N3O4
Molecular Weight463.49 g/mol
Exact Mass463.15
IUPAC Name[4-(4-phenoxyphenyl)-1H-pyrrol-2-yl] N-(4-pyridin-4-yloxyphenyl)carbamate
SMILESO=C(Nc1ccc(Oc2ccncc2)cc1)Oc1cc(-c2ccc(Oc3ccccc3)cc2)c[nH]1
InChIInChI=1S/C28H21N3O4/c32-28(31-22-8-12-25(13-9-22)34-26-14-16-29-17-15-26)35-27-18-21(19-30-27)20-6-10-24(11-7-20)33-23-4-2-1-3-5-23/h1-19,30H,(H,31,32)
InChIKeyWTBCQTHCYXAZEC-UHFFFAOYSA-N
XLogP7.27
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.49
LogP ≤ 57.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-(4-phenoxyphenyl)-1H-pyrrole-2-carboxamide
CID 69056503
2-oxo-N-(3-phenoxyphenyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 58692554
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
(4-methoxyphenyl) N-(4-pyridin-3-yloxyphenyl)carbamate
CID 110188525
phenyl N-[4-(6-methylpyridin-1-ium-3-yl)oxyphenyl]carbamate chloride
CID 110188496
N'-(4-fluorophenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11439538
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
N-[4-[3-[4-(pyridine-4-carbonylamino)phenoxy]phenoxy]phenyl]pyridine-4-carboxamide
CID 1376699
(4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate
CID 67179519
N'-(3-methylphenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11359988
1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea
CID 110874471
phenyl 2-[(4-pyridin-4-ylphenyl)carbamoylamino]acetate
CID 69120668

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenoxyphenyl)-1H-pyrrol-2-yl] N-(4-pyridin-4-yloxyphenyl)carbamate?
The IUPAC name of [4-(4-phenoxyphenyl)-1H-pyrrol-2-yl] N-(4-pyridin-4-yloxyphenyl)carbamate (CID 67775336) is [4-(4-phenoxyphenyl)-1H-pyrrol-2-yl] N-(4-pyridin-4-yloxyphenyl)carbamate.
What is the SMILES notation for [4-(4-phenoxyphenyl)-1H-pyrrol-2-yl] N-(4-pyridin-4-yloxyphenyl)carbamate?
The canonical SMILES for [4-(4-phenoxyphenyl)-1H-pyrrol-2-yl] N-(4-pyridin-4-yloxyphenyl)carbamate is O=C(Nc1ccc(Oc2ccncc2)cc1)Oc1cc(-c2ccc(Oc3ccccc3)cc2)c[nH]1.
What is the InChIKey of [4-(4-phenoxyphenyl)-1H-pyrrol-2-yl] N-(4-pyridin-4-yloxyphenyl)carbamate?
The InChIKey is WTBCQTHCYXAZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O4/c32-28(31-22-8-12-25(13-9-22)34-26-14-16-29-17-15-26)35-27-18-21(19-30-27)20-6-10-24(11-7-20)33-23-4-2-1-3-5-23/h1-19,30H,(H,31,32).
What are the key properties of [4-(4-phenoxyphenyl)-1H-pyrrol-2-yl] N-(4-pyridin-4-yloxyphenyl)carbamate?
[4-(4-phenoxyphenyl)-1H-pyrrol-2-yl] N-(4-pyridin-4-yloxyphenyl)carbamate has a molecular weight of 463.49 g/mol, XLogP of 7.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenoxyphenyl)-1H-pyrrol-2-yl] N-(4-pyridin-4-yloxyphenyl)carbamate is sourced from PubChem (CID 67775336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).