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

C12H19N3O — CID 103950434

IUPAC2-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCn1cccc1CNC(=O)C1(C)CCCN1
InChIInChI=1S/C12H19N3O/c1-12(6-4-7-14-12)11(16)13-9-10-5-3-8-15(10)2/h3,5,8,14H,4,6-7,9H2,1-2H3,(H,13,16)
InChIKeyUHROEVDKZWGONW-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.78
Rot. Bonds3

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

2-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 103950434) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID103950434
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCn1cccc1CNC(=O)C1(C)CCCN1
InChIInChI=1S/C12H19N3O/c1-12(6-4-7-14-12)11(16)13-9-10-5-3-8-15(10)2/h3,5,8,14H,4,6-7,9H2,1-2H3,(H,13,16)
InChIKeyUHROEVDKZWGONW-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide
CID 106416698
N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 64680133
N-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 106416484
1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide
CID 106416507
4-[[(2-methylpiperidine-2-carbonyl)amino]methyl]benzoic acid
CID 104596566
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide
CID 110011674
N-(1H-imidazol-2-ylmethyl)-2-methylpyrrolidine-2-carboxamide
CID 64530559
N-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 106416786
(2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 141351303
N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-methylpyrrolidine-2-carboxamide
CID 110012580
4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide
CID 106416741
1-methoxy-3-[(1-methylpyrrol-2-yl)methyl]urea
CID 130718702

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-2-carboxamide (CID 103950434) is 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-2-carboxamide is Cn1cccc1CNC(=O)C1(C)CCCN1.
What is the InChIKey of 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is UHROEVDKZWGONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(6-4-7-14-12)11(16)13-9-10-5-3-8-15(10)2/h3,5,8,14H,4,6-7,9H2,1-2H3,(H,13,16).
What are the key properties of 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-2-carboxamide?
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 0.78, 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-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 103950434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).