3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride

C15H23Cl2N5O2 — CID 119871681

IUPAC3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NC(c1nc(-c2ccncc2)no1)C(C)C.Cl.Cl
InChIInChI=1S/C15H21N5O2.2ClH/c1-9(2)13(18-12(21)8-10(3)16)15-19-14(20-22-15)11-4-6-17-7-5-11;;/h4-7,9-10,13H,8,16H2,1-3H3,(H,18,21);2*1H
InChIKeyWTZYYJIKDGBTAG-UHFFFAOYSA-N
MW376.29 g/mol
LogP2.53
Rot. Bonds6

About 3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride

3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride (PubChem CID 119871681) has the molecular formula C15H23Cl2N5O2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride
PubChem CID119871681
Molecular FormulaC15H23Cl2N5O2
Molecular Weight376.29 g/mol
Exact Mass375.12
IUPAC Name3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NC(c1nc(-c2ccncc2)no1)C(C)C.Cl.Cl
InChIInChI=1S/C15H21N5O2.2ClH/c1-9(2)13(18-12(21)8-10(3)16)15-19-14(20-22-15)11-4-6-17-7-5-11;;/h4-7,9-10,13H,8,16H2,1-3H3,(H,18,21);2*1H
InChIKeyWTZYYJIKDGBTAG-UHFFFAOYSA-N
XLogP2.53
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride (CID 119871681) is 3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride is CC(N)CC(=O)NC(c1nc(-c2ccncc2)no1)C(C)C.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride?
The InChIKey is WTZYYJIKDGBTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2.2ClH/c1-9(2)13(18-12(21)8-10(3)16)15-19-14(20-22-15)11-4-6-17-7-5-11;;/h4-7,9-10,13H,8,16H2,1-3H3,(H,18,21);2*1H.
What are the key properties of 3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride?
3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride has a molecular weight of 376.29 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride is sourced from PubChem (CID 119871681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).