4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine

C23H26FN5 — CID 70793962

IUPAC4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)ccn2)CC1
InChIInChI=1S/C23H26FN5/c24-18-4-1-3-16(13-18)15-27-22-6-2-5-21(29-22)17-11-12-26-23(14-17)28-20-9-7-19(25)8-10-20/h1-6,11-14,19-20H,7-10,15,25H2,(H,26,28)(H,27,29)
InChIKeyFNFKHXDBFOHAGE-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.58
Rot. Bonds6

About 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine

4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine (PubChem CID 70793962) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
PubChem CID70793962
Molecular FormulaC23H26FN5
Molecular Weight391.49 g/mol
Exact Mass391.22
IUPAC Name4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)ccn2)CC1
InChIInChI=1S/C23H26FN5/c24-18-4-1-3-16(13-18)15-27-22-6-2-5-21(29-22)17-11-12-26-23(14-17)28-20-9-7-19(25)8-10-20/h1-6,11-14,19-20H,7-10,15,25H2,(H,26,28)(H,27,29)
InChIKeyFNFKHXDBFOHAGE-UHFFFAOYSA-N
XLogP4.58
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine (CID 70793962) is 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine is NC1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)ccn2)CC1.
What is the InChIKey of 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine?
The InChIKey is FNFKHXDBFOHAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5/c24-18-4-1-3-16(13-18)15-27-22-6-2-5-21(29-22)17-11-12-26-23(14-17)28-20-9-7-19(25)8-10-20/h1-6,11-14,19-20H,7-10,15,25H2,(H,26,28)(H,27,29).
What are the key properties of 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine?
4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine has a molecular weight of 391.49 g/mol, XLogP of 4.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 70793962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).