4-acetyl-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride

C14H22ClN3O2 — CID 119534734

IUPAC4-acetyl-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride
SMILESCC(=O)c1cc(C(=O)NCCC2CCNC2)n(C)c1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-10(18)12-7-13(17(2)9-12)14(19)16-6-4-11-3-5-15-8-11;/h7,9,11,15H,3-6,8H2,1-2H3,(H,16,19);1H
InChIKeyIQLYQAVBFYXJDG-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.38
Rot. Bonds5

About 4-acetyl-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride

4-acetyl-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride (PubChem CID 119534734) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-acetyl-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-acetyl-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride
PubChem CID119534734
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name4-acetyl-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride
SMILESCC(=O)c1cc(C(=O)NCCC2CCNC2)n(C)c1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-10(18)12-7-13(17(2)9-12)14(19)16-6-4-11-3-5-15-8-11;/h7,9,11,15H,3-6,8H2,1-2H3,(H,16,19);1H
InChIKeyIQLYQAVBFYXJDG-UHFFFAOYSA-N
XLogP1.38
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide
CID 55249969
4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide
CID 119387080
1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide
CID 119535688
4-acetyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 119391773
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
1-methyl-N-(2-piperidin-3-ylethyl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 119555768
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 113460894
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220
4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide
CID 119430794

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-acetyl-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride (CID 119534734) is 4-acetyl-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-acetyl-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-acetyl-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride is CC(=O)c1cc(C(=O)NCCC2CCNC2)n(C)c1.Cl.
What is the InChIKey of 4-acetyl-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride?
The InChIKey is IQLYQAVBFYXJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-10(18)12-7-13(17(2)9-12)14(19)16-6-4-11-3-5-15-8-11;/h7,9,11,15H,3-6,8H2,1-2H3,(H,16,19);1H.
What are the key properties of 4-acetyl-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride?
4-acetyl-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119534734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).