3-[2-[[2-[[3-methyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide

C32H38N8O2 — CID 123296769

IUPAC3-[2-[[2-[[3-methyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide
SMILESCc1nc(-c2ccc(N3CCCC(C)(NC4CCCCC4Nc4cc(-c5cccc(C(N)=O)c5)ccn4)C3)cn2)no1
InChIInChI=1S/C32H38N8O2/c1-21-36-31(39-42-21)28-12-11-25(19-35-28)40-16-6-14-32(2,20-40)38-27-10-4-3-9-26(27)37-29-18-23(13-15-34-29)22-7-5-8-24(17-22)30(33)41/h5,7-8,11-13,15,17-19,26-27,38H,3-4,6,9-10,14,16,20H2,1-2H3,(H2,33,41)(H,34,37)
InChIKeyIDKPFSYBNSRHSY-UHFFFAOYSA-N
MW566.71 g/mol
LogP4.97
Rot. Bonds8

About 3-[2-[[2-[[3-methyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide

3-[2-[[2-[[3-methyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide (PubChem CID 123296769) has the molecular formula C32H38N8O2 and a molecular weight of 566.71 g/mol. Its IUPAC name is 3-[2-[[2-[[3-methyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[2-[[2-[[3-methyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide
PubChem CID123296769
Molecular FormulaC32H38N8O2
Molecular Weight566.71 g/mol
Exact Mass566.31
IUPAC Name3-[2-[[2-[[3-methyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide
SMILESCc1nc(-c2ccc(N3CCCC(C)(NC4CCCCC4Nc4cc(-c5cccc(C(N)=O)c5)ccn4)C3)cn2)no1
InChIInChI=1S/C32H38N8O2/c1-21-36-31(39-42-21)28-12-11-25(19-35-28)40-16-6-14-32(2,20-40)38-27-10-4-3-9-26(27)37-29-18-23(13-15-34-29)22-7-5-8-24(17-22)30(33)41/h5,7-8,11-13,15,17-19,26-27,38H,3-4,6,9-10,14,16,20H2,1-2H3,(H2,33,41)(H,34,37)
InChIKeyIDKPFSYBNSRHSY-UHFFFAOYSA-N
XLogP4.97
TPSA135.09 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.71
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[2-[[2-[[3-methyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide with MolForge

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Related Compounds

3-[2-[[(1R,2R)-2-[[(3S)-1-(6-amino-3-pyridinyl)-3-methylpiperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide
CID 71233454
3-[2-[[(1R,2S)-2-[[(1R,4R,6R)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-azabicyclo[2.2.1]heptan-6-yl]methyl]cyclohexyl]amino]-4-pyridinyl]benzamide
CID 162186591
N-methyl-3-[2-[[(1R,2S)-2-[[(3R)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-5-yl]piperidin-3-yl]methyl]cyclohexyl]amino]-4-pyridinyl]benzamide
CID 158885496
3-[2-[[(1R,2S)-2-[[(3R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methyl]cyclohexyl]amino]-4-pyridinyl]benzamide
CID 160513409
3-[2-[[2-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide
CID 123181344
3-[2-[[(1R,2S)-2-[[(3R)-1-(5-cyanopyrimidin-2-yl)piperidin-3-yl]methyl]cyclohexyl]amino]-4-pyridinyl]benzamide
CID 147789775
3-[2-[[2-[[1-(3,4-difluorophenyl)piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide
CID 78043291
2-[3-[2-[[(1R,2S)-2-[[(3R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methyl]cyclohexyl]amino]-4-pyridinyl]phenyl]propan-2-ol
CID 148602287
N-cyclopentyl-3-[2-[[(1R,2R)-2-[[(3S)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide
CID 71233152
(1R)-1-[3-[2-[[(1R,2R)-2-[[(3S)-1-(4-aminophenyl)piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]phenyl]ethanol
CID 89394082
2-N-[(3S)-3-methyl-1-(4-nitrophenyl)piperidin-3-yl]-1-N-[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]cyclohexane-1,2-diamine
CID 140611862
2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyridine-4-carboxamide
CID 67083674

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-[[3-methyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide?
The IUPAC name of 3-[2-[[2-[[3-methyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide (CID 123296769) is 3-[2-[[2-[[3-methyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide.
What is the SMILES notation for 3-[2-[[2-[[3-methyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide?
The canonical SMILES for 3-[2-[[2-[[3-methyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide is Cc1nc(-c2ccc(N3CCCC(C)(NC4CCCCC4Nc4cc(-c5cccc(C(N)=O)c5)ccn4)C3)cn2)no1.
What is the InChIKey of 3-[2-[[2-[[3-methyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide?
The InChIKey is IDKPFSYBNSRHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N8O2/c1-21-36-31(39-42-21)28-12-11-25(19-35-28)40-16-6-14-32(2,20-40)38-27-10-4-3-9-26(27)37-29-18-23(13-15-34-29)22-7-5-8-24(17-22)30(33)41/h5,7-8,11-13,15,17-19,26-27,38H,3-4,6,9-10,14,16,20H2,1-2H3,(H2,33,41)(H,34,37).
What are the key properties of 3-[2-[[2-[[3-methyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide?
3-[2-[[2-[[3-methyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide has a molecular weight of 566.71 g/mol, XLogP of 4.97, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-[[3-methyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide is sourced from PubChem (CID 123296769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).