4-amino-5-(3-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile

C23H19N3O2 — CID 100774435

IUPAC4-amino-5-(3-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile
SMILESCOc1cccc(Oc2c(N)cc(C#N)n2Cc2cccc3ccccc23)c1
InChIInChI=1S/C23H19N3O2/c1-27-19-9-5-10-20(13-19)28-23-22(25)12-18(14-24)26(23)15-17-8-4-7-16-6-2-3-11-21(16)17/h2-13H,15,25H2,1H3
InChIKeyGCBOJFUXFYNXCX-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.94
Rot. Bonds5

About 4-amino-5-(3-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile

4-amino-5-(3-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile (PubChem CID 100774435) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-amino-5-(3-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(3-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile
PubChem CID100774435
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-amino-5-(3-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile
SMILESCOc1cccc(Oc2c(N)cc(C#N)n2Cc2cccc3ccccc23)c1
InChIInChI=1S/C23H19N3O2/c1-27-19-9-5-10-20(13-19)28-23-22(25)12-18(14-24)26(23)15-17-8-4-7-16-6-2-3-11-21(16)17/h2-13H,15,25H2,1H3
InChIKeyGCBOJFUXFYNXCX-UHFFFAOYSA-N
XLogP4.94
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[(2-fluorophenyl)methyl]-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile
CID 100774423
4-amino-1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile
CID 100774427
4-amino-5-chloro-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile
CID 100775576
4-amino-1-benzyl-5-(3-chlorophenoxy)pyrrole-2-carbonitrile
CID 100773935
4-amino-1-[(2,4-dichlorophenyl)methyl]-5-phenoxypyrrole-2-carbonitrile
CID 100773363
4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile
CID 100774574
4-amino-1-cyclopentyl-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile
CID 100774373
4-amino-1-benzyl-5-(4-methylphenoxy)pyrrole-2-carbonitrile
CID 100773692
4-amino-1-butyl-5-phenoxypyrrole-2-carbonitrile
CID 100773287
4-amino-1-butyl-5-(3-methylphenoxy)pyrrole-2-carbonitrile
CID 100773534
4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile
CID 100774276
4-amino-5-[(3S)-3-methylpiperidin-1-yl]-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile
CID 100770745

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(3-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile?
The IUPAC name of 4-amino-5-(3-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile (CID 100774435) is 4-amino-5-(3-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-5-(3-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-5-(3-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile is COc1cccc(Oc2c(N)cc(C#N)n2Cc2cccc3ccccc23)c1.
What is the InChIKey of 4-amino-5-(3-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile?
The InChIKey is GCBOJFUXFYNXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-27-19-9-5-10-20(13-19)28-23-22(25)12-18(14-24)26(23)15-17-8-4-7-16-6-2-3-11-21(16)17/h2-13H,15,25H2,1H3.
What are the key properties of 4-amino-5-(3-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile?
4-amino-5-(3-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile has a molecular weight of 369.42 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(3-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 100774435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).