N-butan-2-yl-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide

C17H29N3O — CID 53149865

IUPACN-butan-2-yl-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)n(CCN2CCCC2)c1C
InChIInChI=1S/C17H29N3O/c1-5-13(2)18-17(21)16-12-14(3)20(15(16)4)11-10-19-8-6-7-9-19/h12-13H,5-11H2,1-4H3,(H,18,21)
InChIKeyWLZUIJUYULVXNE-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.73
Rot. Bonds6

About N-butan-2-yl-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide

N-butan-2-yl-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide (PubChem CID 53149865) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-butan-2-yl-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
PubChem CID53149865
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-butan-2-yl-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)n(CCN2CCCC2)c1C
InChIInChI=1S/C17H29N3O/c1-5-13(2)18-17(21)16-12-14(3)20(15(16)4)11-10-19-8-6-7-9-19/h12-13H,5-11H2,1-4H3,(H,18,21)
InChIKeyWLZUIJUYULVXNE-UHFFFAOYSA-N
XLogP2.73
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide?
The IUPAC name of N-butan-2-yl-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide (CID 53149865) is N-butan-2-yl-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide is CCC(C)NC(=O)c1cc(C)n(CCN2CCCC2)c1C.
What is the InChIKey of N-butan-2-yl-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide?
The InChIKey is WLZUIJUYULVXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-13(2)18-17(21)16-12-14(3)20(15(16)4)11-10-19-8-6-7-9-19/h12-13H,5-11H2,1-4H3,(H,18,21).
What are the key properties of N-butan-2-yl-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide?
N-butan-2-yl-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 53149865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).