1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide

C21H21N3O — CID 3679809

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(-c2cccnc2)c(C)n1C1CCc2ccccc21
InChIInChI=1S/C21H21N3O/c1-13-19(16-7-5-11-23-12-16)20(21(22)25)14(2)24(13)18-10-9-15-6-3-4-8-17(15)18/h3-8,11-12,18H,9-10H2,1-2H3,(H2,22,25)
InChIKeyRCKGEVZOJXRNJU-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.80
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide

1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide (PubChem CID 3679809) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide
PubChem CID3679809
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(-c2cccnc2)c(C)n1C1CCc2ccccc21
InChIInChI=1S/C21H21N3O/c1-13-19(16-7-5-11-23-12-16)20(21(22)25)14(2)24(13)18-10-9-15-6-3-4-8-17(15)18/h3-8,11-12,18H,9-10H2,1-2H3,(H2,22,25)
InChIKeyRCKGEVZOJXRNJU-UHFFFAOYSA-N
XLogP3.80
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide (CID 3679809) is 1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide is Cc1c(C(N)=O)c(-c2cccnc2)c(C)n1C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide?
The InChIKey is RCKGEVZOJXRNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-13-19(16-7-5-11-23-12-16)20(21(22)25)14(2)24(13)18-10-9-15-6-3-4-8-17(15)18/h3-8,11-12,18H,9-10H2,1-2H3,(H2,22,25).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide?
1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 3679809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).