[2-ethoxy-5-[[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol

C26H32N4O2 — CID 95834986

IUPAC[2-ethoxy-5-[[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol
SMILESCCOc1ccc(CN2CCC[C@H](c3cc(Nc4ccccn4)cc(C)n3)C2)cc1CO
InChIInChI=1S/C26H32N4O2/c1-3-32-25-10-9-20(14-22(25)18-31)16-30-12-6-7-21(17-30)24-15-23(13-19(2)28-24)29-26-8-4-5-11-27-26/h4-5,8-11,13-15,21,31H,3,6-7,12,16-18H2,1-2H3,(H,27,28,29)/t21-/m0/s1
InChIKeyRTJSJFOHHYCXNE-NRFANRHFSA-N
MW432.57 g/mol
LogP4.80
Rot. Bonds8

About [2-ethoxy-5-[[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol

[2-ethoxy-5-[[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol (PubChem CID 95834986) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is [2-ethoxy-5-[[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol
PubChem CID95834986
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name[2-ethoxy-5-[[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol
SMILESCCOc1ccc(CN2CCC[C@H](c3cc(Nc4ccccn4)cc(C)n3)C2)cc1CO
InChIInChI=1S/C26H32N4O2/c1-3-32-25-10-9-20(14-22(25)18-31)16-30-12-6-7-21(17-30)24-15-23(13-19(2)28-24)29-26-8-4-5-11-27-26/h4-5,8-11,13-15,21,31H,3,6-7,12,16-18H2,1-2H3,(H,27,28,29)/t21-/m0/s1
InChIKeyRTJSJFOHHYCXNE-NRFANRHFSA-N
XLogP4.80
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-ethoxy-5-[[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol with MolForge

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Related Compounds

[2-ethoxy-5-[[4-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol
CID 95834271
[2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol
CID 95832823
2-[(3R)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 95834814
[2-methoxy-5-[[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 92597374
4-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765807
2-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 110093582
[5-[[(2S)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol
CID 124990832
[2-ethoxy-5-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol
CID 45233381
3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 95834999
N-[6-[(3R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95836059
[5-[[(2R)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol
CID 124988259
N-[2-[(3S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
CID 95834979

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [2-ethoxy-5-[[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol (CID 95834986) is [2-ethoxy-5-[[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol is CCOc1ccc(CN2CCC[C@H](c3cc(Nc4ccccn4)cc(C)n3)C2)cc1CO.
What is the InChIKey of [2-ethoxy-5-[[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol?
The InChIKey is RTJSJFOHHYCXNE-NRFANRHFSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-3-32-25-10-9-20(14-22(25)18-31)16-30-12-6-7-21(17-30)24-15-23(13-19(2)28-24)29-26-8-4-5-11-27-26/h4-5,8-11,13-15,21,31H,3,6-7,12,16-18H2,1-2H3,(H,27,28,29)/t21-/m0/s1.
What are the key properties of [2-ethoxy-5-[[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol?
[2-ethoxy-5-[[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol has a molecular weight of 432.57 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 95834986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).