1-methyl-4-(pyrrolidine-2-carbonylamino)pyrrole-2-carboxamide

C11H16N4O2 — CID 119290226

IUPAC1-methyl-4-(pyrrolidine-2-carbonylamino)pyrrole-2-carboxamide
SMILESCn1cc(NC(=O)C2CCCN2)cc1C(N)=O
InChIInChI=1S/C11H16N4O2/c1-15-6-7(5-9(15)10(12)16)14-11(17)8-3-2-4-13-8/h5-6,8,13H,2-4H2,1H3,(H2,12,16)(H,14,17)
InChIKeyDIXSPBMGBATMMZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.19
Rot. Bonds3

About 1-methyl-4-(pyrrolidine-2-carbonylamino)pyrrole-2-carboxamide

1-methyl-4-(pyrrolidine-2-carbonylamino)pyrrole-2-carboxamide (PubChem CID 119290226) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-methyl-4-(pyrrolidine-2-carbonylamino)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(pyrrolidine-2-carbonylamino)pyrrole-2-carboxamide
PubChem CID119290226
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-methyl-4-(pyrrolidine-2-carbonylamino)pyrrole-2-carboxamide
SMILESCn1cc(NC(=O)C2CCCN2)cc1C(N)=O
InChIInChI=1S/C11H16N4O2/c1-15-6-7(5-9(15)10(12)16)14-11(17)8-3-2-4-13-8/h5-6,8,13H,2-4H2,1H3,(H2,12,16)(H,14,17)
InChIKeyDIXSPBMGBATMMZ-UHFFFAOYSA-N
XLogP-0.19
TPSA89.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119344897
(2S)-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide
CID 61178864
(2S)-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide
CID 164573536
(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 67505940
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide
CID 104913671
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119316570
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(pyrrolidine-2-carbonylamino)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-(pyrrolidine-2-carbonylamino)pyrrole-2-carboxamide (CID 119290226) is 1-methyl-4-(pyrrolidine-2-carbonylamino)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-(pyrrolidine-2-carbonylamino)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-(pyrrolidine-2-carbonylamino)pyrrole-2-carboxamide is Cn1cc(NC(=O)C2CCCN2)cc1C(N)=O.
What is the InChIKey of 1-methyl-4-(pyrrolidine-2-carbonylamino)pyrrole-2-carboxamide?
The InChIKey is DIXSPBMGBATMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-15-6-7(5-9(15)10(12)16)14-11(17)8-3-2-4-13-8/h5-6,8,13H,2-4H2,1H3,(H2,12,16)(H,14,17).
What are the key properties of 1-methyl-4-(pyrrolidine-2-carbonylamino)pyrrole-2-carboxamide?
1-methyl-4-(pyrrolidine-2-carbonylamino)pyrrole-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(pyrrolidine-2-carbonylamino)pyrrole-2-carboxamide is sourced from PubChem (CID 119290226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).