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

C21H25N5O — CID 157329681

IUPAC2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)pyridin-3-amine
SMILESCc1noc(-c2cnc(CC3CCCCC3)c(NCc3ccncc3)c2)n1
InChIInChI=1S/C21H25N5O/c1-15-25-21(27-26-15)18-12-20(23-13-17-7-9-22-10-8-17)19(24-14-18)11-16-5-3-2-4-6-16/h7-10,12,14,16,23H,2-6,11,13H2,1H3
InChIKeyBFDINGVHFLCJQZ-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.57
Rot. Bonds6

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

2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)pyridin-3-amine (PubChem CID 157329681) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)pyridin-3-amine
PubChem CID157329681
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)pyridin-3-amine
SMILESCc1noc(-c2cnc(CC3CCCCC3)c(NCc3ccncc3)c2)n1
InChIInChI=1S/C21H25N5O/c1-15-25-21(27-26-15)18-12-20(23-13-17-7-9-22-10-8-17)19(24-14-18)11-16-5-3-2-4-6-16/h7-10,12,14,16,23H,2-6,11,13H2,1H3
InChIKeyBFDINGVHFLCJQZ-UHFFFAOYSA-N
XLogP4.57
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)pyridin-3-amine with MolForge

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Related Compounds

6-cyclopropyl-N-(5-phenyl-1,2-oxazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329533
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-3-methylbutan-2-yl]piperidin-4-amine
CID 155543816
3-(5-Pyridin-3-yl-[1,2,4]oxadiazol-3-yl)-quinolin-2-ol
CID 647656
2-[5-(3-Pyridinyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 798247
2-(5-{(1R)-4-cyclohexyl-1-[2-(hydroxyamino)-2-oxoethyl]butyl}-1,2,4-oxadiazol-3-yl)-N-methylisonicotinamide
CID 10180091
3-(1-Azabicyclo[2.2.2]octan-3-yl)-5-(1-methylindol-3-yl)-1,2,4-oxadiazole
CID 14810899
2-(5-{(1R)-4-cyclohexyl-1-[2-(hydroxyamino)-2-oxoethyl]butyl}-1,2,4-oxadiazol-3-yl)isonicotinic acid
CID 16748789
4-[5-(3-Methyl-1,2,4-oxadiazol-5-yl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrimidin-4-yl]benzonitrile
CID 22142456
5-(5-(3-Methyl-1,2,4-oxadiazol-5-yl)-4-(piperidin-4-ylmethylamino)pyridin-2-ylamino)pyrazine-2-carbonitrile
CID 59613513
1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine
CID 118263892
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine
CID 118263923
N-(cyclopropylmethyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
CID 118264001

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)pyridin-3-amine?
The IUPAC name of 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)pyridin-3-amine (CID 157329681) is 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)pyridin-3-amine?
The canonical SMILES for 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)pyridin-3-amine is Cc1noc(-c2cnc(CC3CCCCC3)c(NCc3ccncc3)c2)n1.
What is the InChIKey of 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)pyridin-3-amine?
The InChIKey is BFDINGVHFLCJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-25-21(27-26-15)18-12-20(23-13-17-7-9-22-10-8-17)19(24-14-18)11-16-5-3-2-4-6-16/h7-10,12,14,16,23H,2-6,11,13H2,1H3.
What are the key properties of 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)pyridin-3-amine?
2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)pyridin-3-amine has a molecular weight of 363.47 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 157329681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).