4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine

C24H28FN5 — CID 66936966

IUPAC4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine
SMILESCc1cnc(NC2CCC(N)CC2)cc1-c1cccc(NCc2cccc(F)c2)n1
InChIInChI=1S/C24H28FN5/c1-16-14-27-24(29-20-10-8-19(26)9-11-20)13-21(16)22-6-3-7-23(30-22)28-15-17-4-2-5-18(25)12-17/h2-7,12-14,19-20H,8-11,15,26H2,1H3,(H,27,29)(H,28,30)
InChIKeyQHKILCBNOPPVEQ-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.89
Rot. Bonds6

About 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine

4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine (PubChem CID 66936966) has the molecular formula C24H28FN5 and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine
PubChem CID66936966
Molecular FormulaC24H28FN5
Molecular Weight405.52 g/mol
Exact Mass405.23
IUPAC Name4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine
SMILESCc1cnc(NC2CCC(N)CC2)cc1-c1cccc(NCc2cccc(F)c2)n1
InChIInChI=1S/C24H28FN5/c1-16-14-27-24(29-20-10-8-19(26)9-11-20)13-21(16)22-6-3-7-23(30-22)28-15-17-4-2-5-18(25)12-17/h2-7,12-14,19-20H,8-11,15,26H2,1H3,(H,27,29)(H,28,30)
InChIKeyQHKILCBNOPPVEQ-UHFFFAOYSA-N
XLogP4.89
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.89
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]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine (CID 66936966) is 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine is Cc1cnc(NC2CCC(N)CC2)cc1-c1cccc(NCc2cccc(F)c2)n1.
What is the InChIKey of 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine?
The InChIKey is QHKILCBNOPPVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5/c1-16-14-27-24(29-20-10-8-19(26)9-11-20)13-21(16)22-6-3-7-23(30-22)28-15-17-4-2-5-18(25)12-17/h2-7,12-14,19-20H,8-11,15,26H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine?
4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine has a molecular weight of 405.52 g/mol, XLogP of 4.89, 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]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 66936966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).