2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide

C18H29N3O2 — CID 53149862

IUPAC2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)c(C)n1CCN1CCCC1
InChIInChI=1S/C18H29N3O2/c1-14-12-17(18(22)19-13-16-6-5-11-23-16)15(2)21(14)10-9-20-7-3-4-8-20/h12,16H,3-11,13H2,1-2H3,(H,19,22)
InChIKeyVHQLZWZSOVJTLM-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.11
Rot. Bonds6

About 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide

2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide (PubChem CID 53149862) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
PubChem CID53149862
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)c(C)n1CCN1CCCC1
InChIInChI=1S/C18H29N3O2/c1-14-12-17(18(22)19-13-16-6-5-11-23-16)15(2)21(14)10-9-20-7-3-4-8-20/h12,16H,3-11,13H2,1-2H3,(H,19,22)
InChIKeyVHQLZWZSOVJTLM-UHFFFAOYSA-N
XLogP2.11
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide (CID 53149862) is 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)NCC2CCCO2)c(C)n1CCN1CCCC1.
What is the InChIKey of 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide?
The InChIKey is VHQLZWZSOVJTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14-12-17(18(22)19-13-16-6-5-11-23-16)15(2)21(14)10-9-20-7-3-4-8-20/h12,16H,3-11,13H2,1-2H3,(H,19,22).
What are the key properties of 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide?
2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 53149862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).