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

C16H25Cl2N5O2 — CID 119608011

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CCc1nc(-c2ccccn2)no1.Cl.Cl
InChIInChI=1S/C16H23N5O2.2ClH/c1-11(2)16(3,10-17)20-13(22)7-8-14-19-15(21-23-14)12-6-4-5-9-18-12;;/h4-6,9,11H,7-8,10,17H2,1-3H3,(H,20,22);2*1H
InChIKeyVWJJCBNWCQADMN-UHFFFAOYSA-N
MW390.32 g/mol
LogP2.40
Rot. Bonds7

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

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride (PubChem CID 119608011) has the molecular formula C16H25Cl2N5O2 and a molecular weight of 390.32 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride
PubChem CID119608011
Molecular FormulaC16H25Cl2N5O2
Molecular Weight390.32 g/mol
Exact Mass389.14
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CCc1nc(-c2ccccn2)no1.Cl.Cl
InChIInChI=1S/C16H23N5O2.2ClH/c1-11(2)16(3,10-17)20-13(22)7-8-14-19-15(21-23-14)12-6-4-5-9-18-12;;/h4-6,9,11H,7-8,10,17H2,1-3H3,(H,20,22);2*1H
InChIKeyVWJJCBNWCQADMN-UHFFFAOYSA-N
XLogP2.40
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119606091
(3S)-3-methyl-3-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 97337273
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119608419
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-(4-propan-2-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39892908
N-methylsulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47269714
(2R)-4-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119363928
[2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 46459126
N-(2-amino-1-cyclohexylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride
CID 119591258
4-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 38767965
N-[3-(aminomethyl)pentan-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride (CID 119608011) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride is CC(C)C(C)(CN)NC(=O)CCc1nc(-c2ccccn2)no1.Cl.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride?
The InChIKey is VWJJCBNWCQADMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2.2ClH/c1-11(2)16(3,10-17)20-13(22)7-8-14-19-15(21-23-14)12-6-4-5-9-18-12;;/h4-6,9,11H,7-8,10,17H2,1-3H3,(H,20,22);2*1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride has a molecular weight of 390.32 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119608011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).