4-acetyl-3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-2-carboxamide

C15H23N3O2 — CID 119536524

IUPAC4-acetyl-3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCCC2CCNC2)c1C
InChIInChI=1S/C15H23N3O2/c1-9-13(11(3)19)10(2)18-14(9)15(20)17-7-5-12-4-6-16-8-12/h12,16,18H,4-8H2,1-3H3,(H,17,20)
InChIKeyZRUJSUQBWMQQQT-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.56
Rot. Bonds5

About 4-acetyl-3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-2-carboxamide

4-acetyl-3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-2-carboxamide (PubChem CID 119536524) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-2-carboxamide
PubChem CID119536524
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-acetyl-3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCCC2CCNC2)c1C
InChIInChI=1S/C15H23N3O2/c1-9-13(11(3)19)10(2)18-14(9)15(20)17-7-5-12-4-6-16-8-12/h12,16,18H,4-8H2,1-3H3,(H,17,20)
InChIKeyZRUJSUQBWMQQQT-UHFFFAOYSA-N
XLogP1.56
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-3,5-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119452631
5-acetyl-2,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 91789541
2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide
CID 119537626
3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 113460894
4-acetyl-3-ethyl-5-methyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide
CID 119451704
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 63624155
5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 63622674
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
3,4,7-trimethyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide
CID 119538081
4-acetyl-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride
CID 119534734

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-2-carboxamide (CID 119536524) is 4-acetyl-3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)NCCC2CCNC2)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is ZRUJSUQBWMQQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9-13(11(3)19)10(2)18-14(9)15(20)17-7-5-12-4-6-16-8-12/h12,16,18H,4-8H2,1-3H3,(H,17,20).
What are the key properties of 4-acetyl-3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 119536524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).