N-(2-amino-1-cyclohexylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride

C18H27Cl2N5O2 — CID 119591258

IUPACN-(2-amino-1-cyclohexylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)CCc1nc(-c2ccccn2)no1)C1CCCCC1
InChIInChI=1S/C18H25N5O2.2ClH/c19-12-15(13-6-2-1-3-7-13)21-16(24)9-10-17-22-18(23-25-17)14-8-4-5-11-20-14;;/h4-5,8,11,13,15H,1-3,6-7,9-10,12,19H2,(H,21,24);2*1H
InChIKeyUKGKBFDAKUGPPX-UHFFFAOYSA-N
MW416.35 g/mol
LogP2.93
Rot. Bonds7

About N-(2-amino-1-cyclohexylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride

N-(2-amino-1-cyclohexylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride (PubChem CID 119591258) has the molecular formula C18H27Cl2N5O2 and a molecular weight of 416.35 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride
PubChem CID119591258
Molecular FormulaC18H27Cl2N5O2
Molecular Weight416.35 g/mol
Exact Mass415.15
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)CCc1nc(-c2ccccn2)no1)C1CCCCC1
InChIInChI=1S/C18H25N5O2.2ClH/c19-12-15(13-6-2-1-3-7-13)21-16(24)9-10-17-22-18(23-25-17)14-8-4-5-11-20-14;;/h4-5,8,11,13,15H,1-3,6-7,9-10,12,19H2,(H,21,24);2*1H
InChIKeyUKGKBFDAKUGPPX-UHFFFAOYSA-N
XLogP2.93
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119591603
N-(2-amino-1-cyclohexylethyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119591604
methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate
CID 78867875
N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980596
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride
CID 119608011
N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925
(2R)-4-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119363928
N-(2-amino-1-cyclohexylethyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide;dihydrochloride
CID 119591648
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 36604713
N-methylsulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47269714
4-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 38767965
N-(2-amino-1-cyclohexylethyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
CID 119591649

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride (CID 119591258) is N-(2-amino-1-cyclohexylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride is Cl.Cl.NCC(NC(=O)CCc1nc(-c2ccccn2)no1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride?
The InChIKey is UKGKBFDAKUGPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2.2ClH/c19-12-15(13-6-2-1-3-7-13)21-16(24)9-10-17-22-18(23-25-17)14-8-4-5-11-20-14;;/h4-5,8,11,13,15H,1-3,6-7,9-10,12,19H2,(H,21,24);2*1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride?
N-(2-amino-1-cyclohexylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride has a molecular weight of 416.35 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119591258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).