N-[[2-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]amino]cyclohexyl]methyl]-4-phenylpyridin-2-amine

C32H38N6O — CID 123268663

IUPACN-[[2-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]amino]cyclohexyl]methyl]-4-phenylpyridin-2-amine
SMILESCc1nnc(-c2ccc(N3CCCC(NC4CCCCC4CNc4cc(-c5ccccc5)ccn4)C3)cc2)o1
InChIInChI=1S/C32H38N6O/c1-23-36-37-32(39-23)25-13-15-29(16-14-25)38-19-7-11-28(22-38)35-30-12-6-5-10-27(30)21-34-31-20-26(17-18-33-31)24-8-3-2-4-9-24/h2-4,8-9,13-18,20,27-28,30,35H,5-7,10-12,19,21-22H2,1H3,(H,33,34)
InChIKeyLARIOQUWKWMRIQ-UHFFFAOYSA-N
MW522.70 g/mol
LogP6.34
Rot. Bonds8

About N-[[2-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]amino]cyclohexyl]methyl]-4-phenylpyridin-2-amine

N-[[2-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]amino]cyclohexyl]methyl]-4-phenylpyridin-2-amine (PubChem CID 123268663) has the molecular formula C32H38N6O and a molecular weight of 522.70 g/mol. Its IUPAC name is N-[[2-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]amino]cyclohexyl]methyl]-4-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-[[2-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]amino]cyclohexyl]methyl]-4-phenylpyridin-2-amine
PubChem CID123268663
Molecular FormulaC32H38N6O
Molecular Weight522.70 g/mol
Exact Mass522.31
IUPAC NameN-[[2-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]amino]cyclohexyl]methyl]-4-phenylpyridin-2-amine
SMILESCc1nnc(-c2ccc(N3CCCC(NC4CCCCC4CNc4cc(-c5ccccc5)ccn4)C3)cc2)o1
InChIInChI=1S/C32H38N6O/c1-23-36-37-32(39-23)25-13-15-29(16-14-25)38-19-7-11-28(22-38)35-30-12-6-5-10-27(30)21-34-31-20-26(17-18-33-31)24-8-3-2-4-9-24/h2-4,8-9,13-18,20,27-28,30,35H,5-7,10-12,19,21-22H2,1H3,(H,33,34)
InChIKeyLARIOQUWKWMRIQ-UHFFFAOYSA-N
XLogP6.34
TPSA79.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.70
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]amino]cyclohexyl]methyl]-4-phenylpyridin-2-amine?
The IUPAC name of N-[[2-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]amino]cyclohexyl]methyl]-4-phenylpyridin-2-amine (CID 123268663) is N-[[2-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]amino]cyclohexyl]methyl]-4-phenylpyridin-2-amine.
What is the SMILES notation for N-[[2-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]amino]cyclohexyl]methyl]-4-phenylpyridin-2-amine?
The canonical SMILES for N-[[2-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]amino]cyclohexyl]methyl]-4-phenylpyridin-2-amine is Cc1nnc(-c2ccc(N3CCCC(NC4CCCCC4CNc4cc(-c5ccccc5)ccn4)C3)cc2)o1.
What is the InChIKey of N-[[2-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]amino]cyclohexyl]methyl]-4-phenylpyridin-2-amine?
The InChIKey is LARIOQUWKWMRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O/c1-23-36-37-32(39-23)25-13-15-29(16-14-25)38-19-7-11-28(22-38)35-30-12-6-5-10-27(30)21-34-31-20-26(17-18-33-31)24-8-3-2-4-9-24/h2-4,8-9,13-18,20,27-28,30,35H,5-7,10-12,19,21-22H2,1H3,(H,33,34).
What are the key properties of N-[[2-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]amino]cyclohexyl]methyl]-4-phenylpyridin-2-amine?
N-[[2-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]amino]cyclohexyl]methyl]-4-phenylpyridin-2-amine has a molecular weight of 522.70 g/mol, XLogP of 6.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]amino]cyclohexyl]methyl]-4-phenylpyridin-2-amine is sourced from PubChem (CID 123268663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).