5-fluoro-N-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C11H18FN3O — CID 154742982

IUPAC5-fluoro-N-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NCC1CCCN1)N1CCC=C(F)C1
InChIInChI=1S/C11H18FN3O/c12-9-3-2-6-15(8-9)11(16)14-7-10-4-1-5-13-10/h3,10,13H,1-2,4-8H2,(H,14,16)
InChIKeyNBWRCQHWIHDJGS-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.01
Rot. Bonds2

About 5-fluoro-N-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

5-fluoro-N-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 154742982) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 5-fluoro-N-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID154742982
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name5-fluoro-N-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NCC1CCCN1)N1CCC=C(F)C1
InChIInChI=1S/C11H18FN3O/c12-9-3-2-6-15(8-9)11(16)14-7-10-4-1-5-13-10/h3,10,13H,1-2,4-8H2,(H,14,16)
InChIKeyNBWRCQHWIHDJGS-UHFFFAOYSA-N
XLogP1.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-N-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-Fluorocyclohexa-2,4-dien-1-yl)imidazolidin-2-one
CID 145275654
N-cyclohex-2-en-1-ylpyrrolidine-1-carboxamide
CID 12274570
1-[2-(Cyclohexen-1-yl)ethyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 60606549
N-cyclopentyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115769618
1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidin-2-one
CID 126777958
N-methyl-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxamide
CID 14242465
N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 23273856
2,5,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one
CID 58724333
2,5,6,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one
CID 58724369
1,6-Diazabicyclo[3.2.1]oct-3-en-7-one
CID 141382018
4-Prop-1-en-2-yl-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
CID 141382043
3-methyl-3a,4,5,7a-tetrahydro-1H-benzimidazol-2-one
CID 149185446

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 5-fluoro-N-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 154742982) is 5-fluoro-N-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(NCC1CCCN1)N1CCC=C(F)C1.
What is the InChIKey of 5-fluoro-N-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is NBWRCQHWIHDJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c12-9-3-2-6-15(8-9)11(16)14-7-10-4-1-5-13-10/h3,10,13H,1-2,4-8H2,(H,14,16).
What are the key properties of 5-fluoro-N-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
5-fluoro-N-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 227.28 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 154742982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).