N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazolidin-3-yl)-N-(pyridin-4-ylmethyl)methanamine

C18H23FN4 — CID 75259038

IUPACN-[(4-fluorophenyl)methyl]-1-(5-methylpyrazolidin-3-yl)-N-(pyridin-4-ylmethyl)methanamine
SMILESCC1CC(CN(Cc2ccncc2)Cc2ccc(F)cc2)NN1
InChIInChI=1S/C18H23FN4/c1-14-10-18(22-21-14)13-23(12-16-6-8-20-9-7-16)11-15-2-4-17(19)5-3-15/h2-9,14,18,21-22H,10-13H2,1H3
InChIKeyBJIXXTRNEKSJHU-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.48
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazolidin-3-yl)-N-(pyridin-4-ylmethyl)methanamine

N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazolidin-3-yl)-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 75259038) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazolidin-3-yl)-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(5-methylpyrazolidin-3-yl)-N-(pyridin-4-ylmethyl)methanamine
PubChem CID75259038
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(5-methylpyrazolidin-3-yl)-N-(pyridin-4-ylmethyl)methanamine
SMILESCC1CC(CN(Cc2ccncc2)Cc2ccc(F)cc2)NN1
InChIInChI=1S/C18H23FN4/c1-14-10-18(22-21-14)13-23(12-16-6-8-20-9-7-16)11-15-2-4-17(19)5-3-15/h2-9,14,18,21-22H,10-13H2,1H3
InChIKeyBJIXXTRNEKSJHU-UHFFFAOYSA-N
XLogP2.48
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazolidin-3-yl)-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazolidin-3-yl)-N-(pyridin-4-ylmethyl)methanamine (CID 75259038) is N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazolidin-3-yl)-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazolidin-3-yl)-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazolidin-3-yl)-N-(pyridin-4-ylmethyl)methanamine is CC1CC(CN(Cc2ccncc2)Cc2ccc(F)cc2)NN1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazolidin-3-yl)-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is BJIXXTRNEKSJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4/c1-14-10-18(22-21-14)13-23(12-16-6-8-20-9-7-16)11-15-2-4-17(19)5-3-15/h2-9,14,18,21-22H,10-13H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazolidin-3-yl)-N-(pyridin-4-ylmethyl)methanamine?
N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazolidin-3-yl)-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 314.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazolidin-3-yl)-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 75259038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).