1-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine

C14H18FN3 — CID 114084623

IUPAC1-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccn(Cc2cncc(F)c2)c1
InChIInChI=1S/C14H18FN3/c1-3-14(16-2)12-4-5-18(10-12)9-11-6-13(15)8-17-7-11/h4-8,10,14,16H,3,9H2,1-2H3
InChIKeyKSPUIRSZISNBOB-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.74
Rot. Bonds5

About 1-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine

1-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine (PubChem CID 114084623) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
PubChem CID114084623
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccn(Cc2cncc(F)c2)c1
InChIInChI=1S/C14H18FN3/c1-3-14(16-2)12-4-5-18(10-12)9-11-6-13(15)8-17-7-11/h4-8,10,14,16H,3,9H2,1-2H3
InChIKeyKSPUIRSZISNBOB-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine 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-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 79105423
1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 107883348
N-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105497
N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]propan-1-amine
CID 79109475
N-methyl-1-[1-[(4-nitrophenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104965
1-[1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 106265038
1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 79105422
1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 105408692
N-methyl-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104806
1-[1-[(5-bromo-3-pyridinyl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 104801349
1-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 79109874
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 79109370

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine (CID 114084623) is 1-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine is CCC(NC)c1ccn(Cc2cncc(F)c2)c1.
What is the InChIKey of 1-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine?
The InChIKey is KSPUIRSZISNBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-14(16-2)12-4-5-18(10-12)9-11-6-13(15)8-17-7-11/h4-8,10,14,16H,3,9H2,1-2H3.
What are the key properties of 1-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine?
1-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 114084623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).