N,1,5-trimethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide;hydrochloride

C12H20ClN3O — CID 119553915

IUPACN,1,5-trimethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)N(C)C2CCNC2)n1C.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-9-4-5-11(14(9)2)12(16)15(3)10-6-7-13-8-10;/h4-5,10,13H,6-8H2,1-3H3;1H
InChIKeyKBFZKJJMLCDDPT-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.19
Rot. Bonds2

About N,1,5-trimethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide;hydrochloride

N,1,5-trimethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide;hydrochloride (PubChem CID 119553915) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is N,1,5-trimethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,1,5-trimethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide;hydrochloride
PubChem CID119553915
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC NameN,1,5-trimethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)N(C)C2CCNC2)n1C.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-9-4-5-11(14(9)2)12(16)15(3)10-6-7-13-8-10;/h4-5,10,13H,6-8H2,1-3H3;1H
InChIKeyKBFZKJJMLCDDPT-UHFFFAOYSA-N
XLogP1.19
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1,5-trimethyl-N-piperidin-4-ylpyrrole-2-carboxamide;hydrochloride
CID 119443966
3-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide
CID 119550677
N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide
CID 119550200
N,3,5-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551819
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
N,2-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119554205
N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 174958940
N-methyl-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 119011345
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82815007
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
N,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride
CID 119552387

Frequently Asked Questions

What is the IUPAC name of N,1,5-trimethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N,1,5-trimethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide;hydrochloride (CID 119553915) is N,1,5-trimethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N,1,5-trimethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N,1,5-trimethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide;hydrochloride is Cc1ccc(C(=O)N(C)C2CCNC2)n1C.Cl.
What is the InChIKey of N,1,5-trimethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is KBFZKJJMLCDDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.ClH/c1-9-4-5-11(14(9)2)12(16)15(3)10-6-7-13-8-10;/h4-5,10,13H,6-8H2,1-3H3;1H.
What are the key properties of N,1,5-trimethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide;hydrochloride?
N,1,5-trimethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,5-trimethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119553915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).