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

C24H28FN5O — CID 66937200

IUPAC4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methoxy-2-pyridinyl]cyclohexane-1,4-diamine
SMILESCOc1cnc(NC2CCC(N)CC2)cc1-c1cccc(NCc2cccc(F)c2)n1
InChIInChI=1S/C24H28FN5O/c1-31-22-15-28-24(29-19-10-8-18(26)9-11-19)13-20(22)21-6-3-7-23(30-21)27-14-16-4-2-5-17(25)12-16/h2-7,12-13,15,18-19H,8-11,14,26H2,1H3,(H,27,30)(H,28,29)
InChIKeyQXGKJBPWIZWABK-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.59
Rot. Bonds7

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

4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methoxy-2-pyridinyl]cyclohexane-1,4-diamine (PubChem CID 66937200) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methoxy-2-pyridinyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methoxy-2-pyridinyl]cyclohexane-1,4-diamine
PubChem CID66937200
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC Name4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methoxy-2-pyridinyl]cyclohexane-1,4-diamine
SMILESCOc1cnc(NC2CCC(N)CC2)cc1-c1cccc(NCc2cccc(F)c2)n1
InChIInChI=1S/C24H28FN5O/c1-31-22-15-28-24(29-19-10-8-18(26)9-11-19)13-20(22)21-6-3-7-23(30-21)27-14-16-4-2-5-17(25)12-16/h2-7,12-13,15,18-19H,8-11,14,26H2,1H3,(H,27,30)(H,28,29)
InChIKeyQXGKJBPWIZWABK-UHFFFAOYSA-N
XLogP4.59
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methoxy-2-pyridinyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methoxy-2-pyridinyl]cyclohexane-1,4-diamine (CID 66937200) is 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methoxy-2-pyridinyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methoxy-2-pyridinyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methoxy-2-pyridinyl]cyclohexane-1,4-diamine is COc1cnc(NC2CCC(N)CC2)cc1-c1cccc(NCc2cccc(F)c2)n1.
What is the InChIKey of 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methoxy-2-pyridinyl]cyclohexane-1,4-diamine?
The InChIKey is QXGKJBPWIZWABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c1-31-22-15-28-24(29-19-10-8-18(26)9-11-19)13-20(22)21-6-3-7-23(30-21)27-14-16-4-2-5-17(25)12-16/h2-7,12-13,15,18-19H,8-11,14,26H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methoxy-2-pyridinyl]cyclohexane-1,4-diamine?
4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methoxy-2-pyridinyl]cyclohexane-1,4-diamine has a molecular weight of 421.52 g/mol, XLogP of 4.59, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-5-methoxy-2-pyridinyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 66937200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).