4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol

C23H30ClN3O2 — CID 58127078

IUPAC4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
SMILESOC1CCC(Cc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C23H30ClN3O2/c24-21-15-25-18(12-16-4-6-19(28)7-5-16)13-20(21)22-2-1-3-23(27-22)26-14-17-8-10-29-11-9-17/h1-3,13,15-17,19,28H,4-12,14H2,(H,26,27)
InChIKeyNZGQXOASOOYOTB-UHFFFAOYSA-N
MW415.97 g/mol
LogP4.73
Rot. Bonds6

About 4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol

4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol (PubChem CID 58127078) has the molecular formula C23H30ClN3O2 and a molecular weight of 415.97 g/mol. Its IUPAC name is 4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
PubChem CID58127078
Molecular FormulaC23H30ClN3O2
Molecular Weight415.97 g/mol
Exact Mass415.20
IUPAC Name4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
SMILESOC1CCC(Cc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C23H30ClN3O2/c24-21-15-25-18(12-16-4-6-19(28)7-5-16)13-20(21)22-2-1-3-23(27-22)26-14-17-8-10-29-11-9-17/h1-3,13,15-17,19,28H,4-12,14H2,(H,26,27)
InChIKeyNZGQXOASOOYOTB-UHFFFAOYSA-N
XLogP4.73
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

4-[[5-chloro-4-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
CID 58127148
(2R)-3-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]-1,1,1-trifluoropropan-2-ol
CID 58127082
6-[5-chloro-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127168
4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
CID 58127174
2-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-pyridin-3-ylethanone
CID 58284797
4-[[[6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-pyridinyl]amino]methyl]oxan-4-ol
CID 161020079
6-[5-chloro-2-[2-[(2R)-pyrrolidin-2-yl]ethyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127422
1-[(3S)-1-acetylpiperidin-3-yl]-2-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]ethanone
CID 58284652
2-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-[(3S,5S)-5-(fluoromethyl)pyrrolidin-3-yl]ethanone
CID 58284809
6-[5-chloro-2-[[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]methyl]-4-pyridinyl]-N-[(2,2-dimethyloxan-4-yl)methyl]pyridin-2-amine
CID 58127214
6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127137
(2S)-3-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]-1,1,1-trifluoropropan-2-ol
CID 70794028

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol (CID 58127078) is 4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol is OC1CCC(Cc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)CC1.
What is the InChIKey of 4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol?
The InChIKey is NZGQXOASOOYOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O2/c24-21-15-25-18(12-16-4-6-19(28)7-5-16)13-20(21)22-2-1-3-23(27-22)26-14-17-8-10-29-11-9-17/h1-3,13,15-17,19,28H,4-12,14H2,(H,26,27).
What are the key properties of 4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol?
4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol has a molecular weight of 415.97 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 58127078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).