4-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide

C11H16ClN3O — CID 166196381

IUPAC4-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCN1CCC(CNC(=O)c2cc(Cl)c[nH]2)C1
InChIInChI=1S/C11H16ClN3O/c1-15-3-2-8(7-15)5-14-11(16)10-4-9(12)6-13-10/h4,6,8,13H,2-3,5,7H2,1H3,(H,14,16)
InChIKeyQAFILSRQEAVSMT-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.35
Rot. Bonds3

About 4-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 166196381) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID166196381
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCN1CCC(CNC(=O)c2cc(Cl)c[nH]2)C1
InChIInChI=1S/C11H16ClN3O/c1-15-3-2-8(7-15)5-14-11(16)10-4-9(12)6-13-10/h4,6,8,13H,2-3,5,7H2,1H3,(H,14,16)
InChIKeyQAFILSRQEAVSMT-UHFFFAOYSA-N
XLogP1.35
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 94799655
5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 103803729
4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 54927297
4-bromo-3-chloro-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]benzamide
CID 124572243
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
2-(2-bromo-5-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 122148776
5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide
CID 63116899
N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110746157
3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 134434405
4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 115600313
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71879932
4-amino-3,5-difluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63184925

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide (CID 166196381) is 4-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide is CN1CCC(CNC(=O)c2cc(Cl)c[nH]2)C1.
What is the InChIKey of 4-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is QAFILSRQEAVSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-15-3-2-8(7-15)5-14-11(16)10-4-9(12)6-13-10/h4,6,8,13H,2-3,5,7H2,1H3,(H,14,16).
What are the key properties of 4-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 166196381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).