2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide

C12H19N3O — CID 119537626

IUPAC2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)NCCC1CCNC1
InChIInChI=1S/C12H19N3O/c1-9-11(4-7-14-9)12(16)15-6-3-10-2-5-13-8-10/h4,7,10,13-14H,2-3,5-6,8H2,1H3,(H,15,16)
InChIKeyBKRJDFVLRHCNJI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.05
Rot. Bonds4

About 2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide

2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide (PubChem CID 119537626) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide
PubChem CID119537626
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)NCCC1CCNC1
InChIInChI=1S/C12H19N3O/c1-9-11(4-7-14-9)12(16)15-6-3-10-2-5-13-8-10/h4,7,10,13-14H,2-3,5-6,8H2,1H3,(H,15,16)
InChIKeyBKRJDFVLRHCNJI-UHFFFAOYSA-N
XLogP1.05
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide
CID 63628731
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119537084
2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534818
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536475
2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624159
2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119533790
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
1-hydroxy-N-(2-pyrrolidin-3-ylethyl)naphthalene-2-carboxamide
CID 63622131
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
2,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534638

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide (CID 119537626) is 2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide is Cc1[nH]ccc1C(=O)NCCC1CCNC1.
What is the InChIKey of 2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide?
The InChIKey is BKRJDFVLRHCNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-11(4-7-14-9)12(16)15-6-3-10-2-5-13-8-10/h4,7,10,13-14H,2-3,5-6,8H2,1H3,(H,15,16).
What are the key properties of 2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide?
2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 119537626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).