4-fluoro-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide

C11H16FN3O — CID 129487962

IUPAC4-fluoro-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCN1CCC[C@@H]1CNC(=O)c1cc(F)c[nH]1
InChIInChI=1S/C11H16FN3O/c1-15-4-2-3-9(15)7-14-11(16)10-5-8(12)6-13-10/h5-6,9,13H,2-4,7H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyMDNOIQFXFWINRY-SECBINFHSA-N
MW225.27 g/mol
LogP0.98
Rot. Bonds3

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

4-fluoro-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 129487962) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-fluoro-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID129487962
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name4-fluoro-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCN1CCC[C@@H]1CNC(=O)c1cc(F)c[nH]1
InChIInChI=1S/C11H16FN3O/c1-15-4-2-3-9(15)7-14-11(16)10-5-8(12)6-13-10/h5-6,9,13H,2-4,7H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyMDNOIQFXFWINRY-SECBINFHSA-N
XLogP0.98
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylamino)-3,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 106028020
6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 170612399
4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide
CID 106021956
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 106026096
4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 110473663
2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 113259158
N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106022346
4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide
CID 126787465
2-fluoro-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitrobenzamide
CID 106027988
N-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole-7-carboxamide
CID 103707474
4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137648
2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81480197

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-fluoro-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide (CID 129487962) is 4-fluoro-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide is CN1CCC[C@@H]1CNC(=O)c1cc(F)c[nH]1.
What is the InChIKey of 4-fluoro-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is MDNOIQFXFWINRY-SECBINFHSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-15-4-2-3-9(15)7-14-11(16)10-5-8(12)6-13-10/h5-6,9,13H,2-4,7H2,1H3,(H,14,16)/t9-/m1/s1.
What are the key properties of 4-fluoro-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide?
4-fluoro-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 225.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 129487962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).