1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide

C12H19N3O — CID 104955194

IUPAC1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCC[C@@H]1CCCN1
InChIInChI=1S/C12H19N3O/c1-15-9-3-5-11(15)12(16)14-8-6-10-4-2-7-13-10/h3,5,9-10,13H,2,4,6-8H2,1H3,(H,14,16)/t10-/m0/s1
InChIKeyZQZBCLJCCMUZAH-JTQLQIEISA-N
MW221.30 g/mol
LogP0.90
Rot. Bonds4

About 1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide

1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide (PubChem CID 104955194) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
PubChem CID104955194
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCC[C@@H]1CCCN1
InChIInChI=1S/C12H19N3O/c1-15-9-3-5-11(15)12(16)14-8-6-10-4-2-7-13-10/h3,5,9-10,13H,2,4,6-8H2,1H3,(H,14,16)/t10-/m0/s1
InChIKeyZQZBCLJCCMUZAH-JTQLQIEISA-N
XLogP0.90
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971730
1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971656
4-bromo-1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104955320
4-cyano-1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 74238300
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
4-bromo-1-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971697
1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide
CID 141062303
1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 62541280
3-ethyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazole-5-carboxamide
CID 66120526
2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide
CID 114793681

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide (CID 104955194) is 1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide is Cn1cccc1C(=O)NCC[C@@H]1CCCN1.
What is the InChIKey of 1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide?
The InChIKey is ZQZBCLJCCMUZAH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-9-3-5-11(15)12(16)14-8-6-10-4-2-7-13-10/h3,5,9-10,13H,2,4,6-8H2,1H3,(H,14,16)/t10-/m0/s1.
What are the key properties of 1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide?
1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 104955194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).