N-[6-(cyclopropylmethylamino)-4-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-methylmethanesulfonamide

C24H30N6O3S — CID 24985775

IUPACN-[6-(cyclopropylmethylamino)-4-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-methylmethanesulfonamide
SMILESCN(c1cc(-c2nnc([C@H]3NCCC[C@H]3c3ccccc3)o2)cc(NCC2CC2)n1)S(C)(=O)=O
InChIInChI=1S/C24H30N6O3S/c1-30(34(2,31)32)21-14-18(13-20(27-21)26-15-16-10-11-16)23-28-29-24(33-23)22-19(9-6-12-25-22)17-7-4-3-5-8-17/h3-5,7-8,13-14,16,19,22,25H,6,9-12,15H2,1-2H3,(H,26,27)/t19-,22-/m0/s1
InChIKeyRYFRXDIHABXUPZ-UGKGYDQZSA-N
MW482.61 g/mol
LogP3.56
Rot. Bonds8

About N-[6-(cyclopropylmethylamino)-4-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-methylmethanesulfonamide

N-[6-(cyclopropylmethylamino)-4-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-methylmethanesulfonamide (PubChem CID 24985775) has the molecular formula C24H30N6O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is N-[6-(cyclopropylmethylamino)-4-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[6-(cyclopropylmethylamino)-4-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-methylmethanesulfonamide
PubChem CID24985775
Molecular FormulaC24H30N6O3S
Molecular Weight482.61 g/mol
Exact Mass482.21
IUPAC NameN-[6-(cyclopropylmethylamino)-4-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-methylmethanesulfonamide
SMILESCN(c1cc(-c2nnc([C@H]3NCCC[C@H]3c3ccccc3)o2)cc(NCC2CC2)n1)S(C)(=O)=O
InChIInChI=1S/C24H30N6O3S/c1-30(34(2,31)32)21-14-18(13-20(27-21)26-15-16-10-11-16)23-28-29-24(33-23)22-19(9-6-12-25-22)17-7-4-3-5-8-17/h3-5,7-8,13-14,16,19,22,25H,6,9-12,15H2,1-2H3,(H,26,27)/t19-,22-/m0/s1
InChIKeyRYFRXDIHABXUPZ-UGKGYDQZSA-N
XLogP3.56
TPSA113.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropylmethylamino)-4-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[6-(cyclopropylmethylamino)-4-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-methylmethanesulfonamide (CID 24985775) is N-[6-(cyclopropylmethylamino)-4-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[6-(cyclopropylmethylamino)-4-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[6-(cyclopropylmethylamino)-4-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-methylmethanesulfonamide is CN(c1cc(-c2nnc([C@H]3NCCC[C@H]3c3ccccc3)o2)cc(NCC2CC2)n1)S(C)(=O)=O.
What is the InChIKey of N-[6-(cyclopropylmethylamino)-4-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-methylmethanesulfonamide?
The InChIKey is RYFRXDIHABXUPZ-UGKGYDQZSA-N. The full InChI is InChI=1S/C24H30N6O3S/c1-30(34(2,31)32)21-14-18(13-20(27-21)26-15-16-10-11-16)23-28-29-24(33-23)22-19(9-6-12-25-22)17-7-4-3-5-8-17/h3-5,7-8,13-14,16,19,22,25H,6,9-12,15H2,1-2H3,(H,26,27)/t19-,22-/m0/s1.
What are the key properties of N-[6-(cyclopropylmethylamino)-4-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-methylmethanesulfonamide?
N-[6-(cyclopropylmethylamino)-4-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-methylmethanesulfonamide has a molecular weight of 482.61 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropylmethylamino)-4-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 24985775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).