N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine

C22H26N4O — CID 159289867

IUPACN-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
SMILESCc1noc(-c2cnc(CC3CCCCC3)c(NCc3ccccc3)c2)n1
InChIInChI=1S/C22H26N4O/c1-16-25-22(27-26-16)19-13-21(23-14-18-10-6-3-7-11-18)20(24-15-19)12-17-8-4-2-5-9-17/h3,6-7,10-11,13,15,17,23H,2,4-5,8-9,12,14H2,1H3
InChIKeyKZZAFQQQFRYICG-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.17
Rot. Bonds6

About N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine

N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine (PubChem CID 159289867) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
PubChem CID159289867
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
SMILESCc1noc(-c2cnc(CC3CCCCC3)c(NCc3ccccc3)c2)n1
InChIInChI=1S/C22H26N4O/c1-16-25-22(27-26-16)19-13-21(23-14-18-10-6-3-7-11-18)20(24-15-19)12-17-8-4-2-5-9-17/h3,6-7,10-11,13,15,17,23H,2,4-5,8-9,12,14H2,1H3
InChIKeyKZZAFQQQFRYICG-UHFFFAOYSA-N
XLogP5.17
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(cyclohexylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 166767624
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CID 170305584
N-[(4-bromophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678190
N-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678194
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylphenyl)methyl]aniline
CID 43678196
5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 71564469
3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]methyl]phenol
CID 43678229
2-N-benzyl-1-N-cyclohexyl-4-methylbenzene-1,2-diamine
CID 178096856
5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole
CID 127318368
1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 121375835
3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 91136063
N-[(2-bromophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678230

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine?
The IUPAC name of N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine (CID 159289867) is N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine.
What is the SMILES notation for N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine?
The canonical SMILES for N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine is Cc1noc(-c2cnc(CC3CCCCC3)c(NCc3ccccc3)c2)n1.
What is the InChIKey of N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine?
The InChIKey is KZZAFQQQFRYICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-25-22(27-26-16)19-13-21(23-14-18-10-6-3-7-11-18)20(24-15-19)12-17-8-4-2-5-9-17/h3,6-7,10-11,13,15,17,23H,2,4-5,8-9,12,14H2,1H3.
What are the key properties of N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine?
N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine has a molecular weight of 362.48 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine is sourced from PubChem (CID 159289867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).