4-acetyl-3,5-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide;hydrochloride

C13H20ClN3O2 — CID 119452631

IUPAC4-acetyl-3,5-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCC(=O)c1c(C)[nH]c(C(=O)NC2CCNC2)c1C.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-7-11(9(3)17)8(2)15-12(7)13(18)16-10-4-5-14-6-10;/h10,14-15H,4-6H2,1-3H3,(H,16,18);1H
InChIKeyPSKXWPZQQKYMKS-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.35
Rot. Bonds3

About 4-acetyl-3,5-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide;hydrochloride

4-acetyl-3,5-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 119452631) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID119452631
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name4-acetyl-3,5-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCC(=O)c1c(C)[nH]c(C(=O)NC2CCNC2)c1C.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-7-11(9(3)17)8(2)15-12(7)13(18)16-10-4-5-14-6-10;/h10,14-15H,4-6H2,1-3H3,(H,16,18);1H
InChIKeyPSKXWPZQQKYMKS-UHFFFAOYSA-N
XLogP1.35
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-3-ethyl-5-methyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide
CID 119451704
4-acetyl-3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-2-carboxamide
CID 119536524
4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide
CID 119388518
tert-butyl 4-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]piperidine-1-carboxylate
CID 55985020
trans-(1S,2S)-2-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97324250
4-acetyl-N-[(3S)-1-benzylpyrrolidin-3-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 40811412
1-[2,4-dimethyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 119472352
3,5,7-trimethyl-N-[(3S)-pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydrochloride
CID 154896293
4-acetyl-N-[3-(4-hydroxypiperidin-1-yl)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 111429605
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
ethyl 5-(cyclopropylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 17411722
4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 51095665

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide;hydrochloride (CID 119452631) is 4-acetyl-3,5-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide;hydrochloride is CC(=O)c1c(C)[nH]c(C(=O)NC2CCNC2)c1C.Cl.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is PSKXWPZQQKYMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-7-11(9(3)17)8(2)15-12(7)13(18)16-10-4-5-14-6-10;/h10,14-15H,4-6H2,1-3H3,(H,16,18);1H.
What are the key properties of 4-acetyl-3,5-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide;hydrochloride?
4-acetyl-3,5-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 1.35, 3 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-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119452631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).