2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylpyrrole-3-carboxamide

C17H21N3O2 — CID 71941644

IUPAC2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)c(C)n1-c1cccnc1
InChIInChI=1S/C17H21N3O2/c1-12-9-16(17(21)19-11-15-6-4-8-22-15)13(2)20(12)14-5-3-7-18-10-14/h3,5,7,9-10,15H,4,6,8,11H2,1-2H3,(H,19,21)
InChIKeyKUZVCCCKFLBXKP-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.40
Rot. Bonds4

About 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylpyrrole-3-carboxamide

2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylpyrrole-3-carboxamide (PubChem CID 71941644) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylpyrrole-3-carboxamide
PubChem CID71941644
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)c(C)n1-c1cccnc1
InChIInChI=1S/C17H21N3O2/c1-12-9-16(17(21)19-11-15-6-4-8-22-15)13(2)20(12)14-5-3-7-18-10-14/h3,5,7,9-10,15H,4,6,8,11H2,1-2H3,(H,19,21)
InChIKeyKUZVCCCKFLBXKP-UHFFFAOYSA-N
XLogP2.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.40
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-pyridin-3-ylpyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylpyrrole-3-carboxamide (CID 71941644) is 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylpyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylpyrrole-3-carboxamide is Cc1cc(C(=O)NCC2CCCO2)c(C)n1-c1cccnc1.
What is the InChIKey of 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylpyrrole-3-carboxamide?
The InChIKey is KUZVCCCKFLBXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-9-16(17(21)19-11-15-6-4-8-22-15)13(2)20(12)14-5-3-7-18-10-14/h3,5,7,9-10,15H,4,6,8,11H2,1-2H3,(H,19,21).
What are the key properties of 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylpyrrole-3-carboxamide?
2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylpyrrole-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.40, 4 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-pyridin-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 71941644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).