[4-[[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexyl]methanol

C24H32ClN3O2 — CID 67691867

IUPAC[4-[[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexyl]methanol
SMILESOCC1CCC(Nc2cc(-c3cccc(NCC4CCOCC4)c3)c(Cl)cn2)CC1
InChIInChI=1S/C24H32ClN3O2/c25-23-15-27-24(28-20-6-4-18(16-29)5-7-20)13-22(23)19-2-1-3-21(12-19)26-14-17-8-10-30-11-9-17/h1-3,12-13,15,17-18,20,26,29H,4-11,14,16H2,(H,27,28)
InChIKeyYCZGCQDVCQWUFF-UHFFFAOYSA-N
MW429.99 g/mol
LogP5.20
Rot. Bonds7

About [4-[[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexyl]methanol

[4-[[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexyl]methanol (PubChem CID 67691867) has the molecular formula C24H32ClN3O2 and a molecular weight of 429.99 g/mol. Its IUPAC name is [4-[[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexyl]methanol
PubChem CID67691867
Molecular FormulaC24H32ClN3O2
Molecular Weight429.99 g/mol
Exact Mass429.22
IUPAC Name[4-[[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexyl]methanol
SMILESOCC1CCC(Nc2cc(-c3cccc(NCC4CCOCC4)c3)c(Cl)cn2)CC1
InChIInChI=1S/C24H32ClN3O2/c25-23-15-27-24(28-20-6-4-18(16-29)5-7-20)13-22(23)19-2-1-3-21(12-19)26-14-17-8-10-30-11-9-17/h1-3,12-13,15,17-18,20,26,29H,4-11,14,16H2,(H,27,28)
InChIKeyYCZGCQDVCQWUFF-UHFFFAOYSA-N
XLogP5.20
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.99
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexyl]methanol?
The IUPAC name of [4-[[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexyl]methanol (CID 67691867) is [4-[[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexyl]methanol?
The canonical SMILES for [4-[[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexyl]methanol is OCC1CCC(Nc2cc(-c3cccc(NCC4CCOCC4)c3)c(Cl)cn2)CC1.
What is the InChIKey of [4-[[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexyl]methanol?
The InChIKey is YCZGCQDVCQWUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O2/c25-23-15-27-24(28-20-6-4-18(16-29)5-7-20)13-22(23)19-2-1-3-21(12-19)26-14-17-8-10-30-11-9-17/h1-3,12-13,15,17-18,20,26,29H,4-11,14,16H2,(H,27,28).
What are the key properties of [4-[[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexyl]methanol?
[4-[[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexyl]methanol has a molecular weight of 429.99 g/mol, XLogP of 5.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexyl]methanol is sourced from PubChem (CID 67691867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).