N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(3-methylpyrazolidin-4-yl)methanamine

C17H21FN4O — CID 134068412

IUPACN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(3-methylpyrazolidin-4-yl)methanamine
SMILESCC1NNCC1CNCc1ccc(Oc2cccc(F)c2)nc1
InChIInChI=1S/C17H21FN4O/c1-12-14(11-21-22-12)10-19-8-13-5-6-17(20-9-13)23-16-4-2-3-15(18)7-16/h2-7,9,12,14,19,21-22H,8,10-11H2,1H3
InChIKeyLEIDJUXSOKLCTE-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.22
Rot. Bonds6

About N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(3-methylpyrazolidin-4-yl)methanamine

N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(3-methylpyrazolidin-4-yl)methanamine (PubChem CID 134068412) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(3-methylpyrazolidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(3-methylpyrazolidin-4-yl)methanamine
PubChem CID134068412
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(3-methylpyrazolidin-4-yl)methanamine
SMILESCC1NNCC1CNCc1ccc(Oc2cccc(F)c2)nc1
InChIInChI=1S/C17H21FN4O/c1-12-14(11-21-22-12)10-19-8-13-5-6-17(20-9-13)23-16-4-2-3-15(18)7-16/h2-7,9,12,14,19,21-22H,8,10-11H2,1H3
InChIKeyLEIDJUXSOKLCTE-UHFFFAOYSA-N
XLogP2.22
TPSA58.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(3-methylpyrazolidin-4-yl)methanamine 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

N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119870373
1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 60610934
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-6-methylpyridin-2-amine
CID 133482546
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970707
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119870347
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111875939
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 60610905
1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea
CID 60610844
N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296868
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111138860
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119870344
1-[2-[[6-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549762

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(3-methylpyrazolidin-4-yl)methanamine?
The IUPAC name of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(3-methylpyrazolidin-4-yl)methanamine (CID 134068412) is N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(3-methylpyrazolidin-4-yl)methanamine.
What is the SMILES notation for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(3-methylpyrazolidin-4-yl)methanamine?
The canonical SMILES for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(3-methylpyrazolidin-4-yl)methanamine is CC1NNCC1CNCc1ccc(Oc2cccc(F)c2)nc1.
What is the InChIKey of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(3-methylpyrazolidin-4-yl)methanamine?
The InChIKey is LEIDJUXSOKLCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-12-14(11-21-22-12)10-19-8-13-5-6-17(20-9-13)23-16-4-2-3-15(18)7-16/h2-7,9,12,14,19,21-22H,8,10-11H2,1H3.
What are the key properties of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(3-methylpyrazolidin-4-yl)methanamine?
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(3-methylpyrazolidin-4-yl)methanamine has a molecular weight of 316.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(3-methylpyrazolidin-4-yl)methanamine is sourced from PubChem (CID 134068412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).