N-[4-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-[(2-methylcyclopropyl)methylamino]-2-pyridinyl]-N-methylmethanesulfonamide;hydrochloride

C23H31ClN6O3S — CID 67251927

IUPACN-[4-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-[(2-methylcyclopropyl)methylamino]-2-pyridinyl]-N-methylmethanesulfonamide;hydrochloride
SMILESCC1CC1CNc1cc(-c2nnc(C(C)(N)Cc3ccccc3)o2)cc(N(C)S(C)(=O)=O)n1.Cl
InChIInChI=1S/C23H30N6O3S.ClH/c1-15-10-18(15)14-25-19-11-17(12-20(26-19)29(3)33(4,30)31)21-27-28-22(32-21)23(2,24)13-16-8-6-5-7-9-16;/h5-9,11-12,15,18H,10,13-14,24H2,1-4H3,(H,25,26);1H
InChIKeyDIXYUMPQWLJBHQ-UHFFFAOYSA-N
MW507.06 g/mol
LogP3.43
Rot. Bonds9

About N-[4-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-[(2-methylcyclopropyl)methylamino]-2-pyridinyl]-N-methylmethanesulfonamide;hydrochloride

N-[4-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-[(2-methylcyclopropyl)methylamino]-2-pyridinyl]-N-methylmethanesulfonamide;hydrochloride (PubChem CID 67251927) has the molecular formula C23H31ClN6O3S and a molecular weight of 507.06 g/mol. Its IUPAC name is N-[4-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-[(2-methylcyclopropyl)methylamino]-2-pyridinyl]-N-methylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-[(2-methylcyclopropyl)methylamino]-2-pyridinyl]-N-methylmethanesulfonamide;hydrochloride
PubChem CID67251927
Molecular FormulaC23H31ClN6O3S
Molecular Weight507.06 g/mol
Exact Mass506.19
IUPAC NameN-[4-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-[(2-methylcyclopropyl)methylamino]-2-pyridinyl]-N-methylmethanesulfonamide;hydrochloride
SMILESCC1CC1CNc1cc(-c2nnc(C(C)(N)Cc3ccccc3)o2)cc(N(C)S(C)(=O)=O)n1.Cl
InChIInChI=1S/C23H30N6O3S.ClH/c1-15-10-18(15)14-25-19-11-17(12-20(26-19)29(3)33(4,30)31)21-27-28-22(32-21)23(2,24)13-16-8-6-5-7-9-16;/h5-9,11-12,15,18H,10,13-14,24H2,1-4H3,(H,25,26);1H
InChIKeyDIXYUMPQWLJBHQ-UHFFFAOYSA-N
XLogP3.43
TPSA127.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.06
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-[(2-methylcyclopropyl)methylamino]-2-pyridinyl]-N-methylmethanesulfonamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-[(2-methylcyclopropyl)methylamino]-2-pyridinyl]-N-methylmethanesulfonamide;hydrochloride?
The IUPAC name of N-[4-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-[(2-methylcyclopropyl)methylamino]-2-pyridinyl]-N-methylmethanesulfonamide;hydrochloride (CID 67251927) is N-[4-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-[(2-methylcyclopropyl)methylamino]-2-pyridinyl]-N-methylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[4-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-[(2-methylcyclopropyl)methylamino]-2-pyridinyl]-N-methylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-[4-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-[(2-methylcyclopropyl)methylamino]-2-pyridinyl]-N-methylmethanesulfonamide;hydrochloride is CC1CC1CNc1cc(-c2nnc(C(C)(N)Cc3ccccc3)o2)cc(N(C)S(C)(=O)=O)n1.Cl.
What is the InChIKey of N-[4-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-[(2-methylcyclopropyl)methylamino]-2-pyridinyl]-N-methylmethanesulfonamide;hydrochloride?
The InChIKey is DIXYUMPQWLJBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3S.ClH/c1-15-10-18(15)14-25-19-11-17(12-20(26-19)29(3)33(4,30)31)21-27-28-22(32-21)23(2,24)13-16-8-6-5-7-9-16;/h5-9,11-12,15,18H,10,13-14,24H2,1-4H3,(H,25,26);1H.
What are the key properties of N-[4-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-[(2-methylcyclopropyl)methylamino]-2-pyridinyl]-N-methylmethanesulfonamide;hydrochloride?
N-[4-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-[(2-methylcyclopropyl)methylamino]-2-pyridinyl]-N-methylmethanesulfonamide;hydrochloride has a molecular weight of 507.06 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-[(2-methylcyclopropyl)methylamino]-2-pyridinyl]-N-methylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 67251927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).