1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide

C13H21N3O — CID 141062303

IUPAC1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCCCN1CCCC1
InChIInChI=1S/C13H21N3O/c1-15-8-4-6-12(15)13(17)14-7-5-11-16-9-2-3-10-16/h4,6,8H,2-3,5,7,9-11H2,1H3,(H,14,17)
InChIKeyFICPUGWHLPFXCO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.24
Rot. Bonds5

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

1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide (PubChem CID 141062303) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide
PubChem CID141062303
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCCCN1CCCC1
InChIInChI=1S/C13H21N3O/c1-15-8-4-6-12(15)13(17)14-7-5-11-16-9-2-3-10-16/h4,6,8H,2-3,5,7,9-11H2,1H3,(H,14,17)
InChIKeyFICPUGWHLPFXCO-UHFFFAOYSA-N
XLogP1.24
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104955194
2-[2-(3-piperazin-1-ylpropylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79321926
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397
2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60712545
N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
CID 11630984
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
1,3-dimethyl-2,4-dioxo-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-5-carboxamide
CID 84555556
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 142245309
6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
CID 62990248
6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide
CID 62989713
N-[3-[4-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]piperazin-1-yl]propyl]-1-methylpyrrole-2-carboxamide;dihydrochloride
CID 139793566

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide (CID 141062303) is 1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide is Cn1cccc1C(=O)NCCCN1CCCC1.
What is the InChIKey of 1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide?
The InChIKey is FICPUGWHLPFXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15-8-4-6-12(15)13(17)14-7-5-11-16-9-2-3-10-16/h4,6,8H,2-3,5,7,9-11H2,1H3,(H,14,17).
What are the key properties of 1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide?
1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 141062303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).