2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide

C12H19N3O — CID 102953575

IUPAC2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NCc1ccn(C)c1
InChIInChI=1S/C12H19N3O/c1-9-11(3-5-13-9)12(16)14-7-10-4-6-15(2)8-10/h4,6,8-9,11,13H,3,5,7H2,1-2H3,(H,14,16)
InChIKeyJAKZFFFKDRINAP-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.64
Rot. Bonds3

About 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide

2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 102953575) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID102953575
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NCc1ccn(C)c1
InChIInChI=1S/C12H19N3O/c1-9-11(3-5-13-9)12(16)14-7-10-4-6-15(2)8-10/h4,6,8-9,11,13H,3,5,7H2,1-2H3,(H,14,16)
InChIKeyJAKZFFFKDRINAP-UHFFFAOYSA-N
XLogP0.64
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106390529
N-[(4-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide
CID 114332153
N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide
CID 82494322
2-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 79383907
(3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide
CID 96672355
cis-(1R,2S)-4-ethyl-2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106390546
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide
CID 106390878
3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide
CID 126778492
(3R)-N-[(1-methylpyrrol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106390750
(3S)-N-[(1-methylpyrrol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106390769
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 79384606
2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103814673

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide (CID 102953575) is 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide is CC1NCCC1C(=O)NCc1ccn(C)c1.
What is the InChIKey of 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is JAKZFFFKDRINAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-11(3-5-13-9)12(16)14-7-10-4-6-15(2)8-10/h4,6,8-9,11,13H,3,5,7H2,1-2H3,(H,14,16).
What are the key properties of 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide?
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 102953575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).