[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)methanone

C22H23N3O — CID 166363925

IUPAC[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)methanone
SMILESCN(C)Cc1ccc(C(=O)N2CC=C(c3cccc4ccccc34)C2)[nH]1
InChIInChI=1S/C22H23N3O/c1-24(2)15-18-10-11-21(23-18)22(26)25-13-12-17(14-25)20-9-5-7-16-6-3-4-8-19(16)20/h3-12,23H,13-15H2,1-2H3
InChIKeyJNUCTBIIZSCKDS-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.77
Rot. Bonds4

About [5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)methanone

[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)methanone (PubChem CID 166363925) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is [5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

Compound Name[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)methanone
PubChem CID166363925
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)methanone
SMILESCN(C)Cc1ccc(C(=O)N2CC=C(c3cccc4ccccc34)C2)[nH]1
InChIInChI=1S/C22H23N3O/c1-24(2)15-18-10-11-21(23-18)22(26)25-13-12-17(14-25)20-9-5-7-16-6-3-4-8-19(16)20/h3-12,23H,13-15H2,1-2H3
InChIKeyJNUCTBIIZSCKDS-UHFFFAOYSA-N
XLogP3.77
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)methanone?
The IUPAC name of [5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)methanone (CID 166363925) is [5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)methanone.
What is the SMILES notation for [5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)methanone?
The canonical SMILES for [5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)methanone is CN(C)Cc1ccc(C(=O)N2CC=C(c3cccc4ccccc34)C2)[nH]1.
What is the InChIKey of [5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)methanone?
The InChIKey is JNUCTBIIZSCKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-24(2)15-18-10-11-21(23-18)22(26)25-13-12-17(14-25)20-9-5-7-16-6-3-4-8-19(16)20/h3-12,23H,13-15H2,1-2H3.
What are the key properties of [5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)methanone?
[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)methanone has a molecular weight of 345.45 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 166363925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).