3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide

C13H25N3O — CID 102779216

IUPAC3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(CN1CCCC1)NC(=O)C1NCCC1C
InChIInChI=1S/C13H25N3O/c1-10-5-6-14-12(10)13(17)15-11(2)9-16-7-3-4-8-16/h10-12,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyJVEPFACWWPVIFG-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.58
Rot. Bonds4

About 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide

3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 102779216) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
PubChem CID102779216
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(CN1CCCC1)NC(=O)C1NCCC1C
InChIInChI=1S/C13H25N3O/c1-10-5-6-14-12(10)13(17)15-11(2)9-16-7-3-4-8-16/h10-12,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyJVEPFACWWPVIFG-UHFFFAOYSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 102778898
N-butan-2-yl-3-methylpyrrolidine-2-carboxamide
CID 102776775
3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 102778392
N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-carboxamide
CID 54954138
3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782980
3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 62783102
1-(cyclopropanecarbonyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxamide
CID 171675755
6-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 60940827
methyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate
CID 102778052
(2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825151
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid
CID 102779851

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide (CID 102779216) is 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide is CC(CN1CCCC1)NC(=O)C1NCCC1C.
What is the InChIKey of 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is JVEPFACWWPVIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10-5-6-14-12(10)13(17)15-11(2)9-16-7-3-4-8-16/h10-12,14H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide?
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102779216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).