N-methyl-N-[6-[methyl-[[(1R,2R)-2-methylcyclopropyl]methyl]amino]-4-[5-[(2R,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanesulfonamide

C26H34N6O3S — CID 66811523

IUPACN-methyl-N-[6-[methyl-[[(1R,2R)-2-methylcyclopropyl]methyl]amino]-4-[5-[(2R,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanesulfonamide
SMILESC[C@@H]1C[C@H]1CN(C)c1cc(-c2nnc([C@@H]3NCCC[C@H]3c3ccccc3)o2)cc(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C26H34N6O3S/c1-17-13-20(17)16-31(2)22-14-19(15-23(28-22)32(3)36(4,33)34)25-29-30-26(35-25)24-21(11-8-12-27-24)18-9-6-5-7-10-18/h5-7,9-10,14-15,17,20-21,24,27H,8,11-13,16H2,1-4H3/t17-,20+,21+,24-/m1/s1
InChIKeyRNLAEQUAUHYEHW-OTXOCUIESA-N
MW510.66 g/mol
LogP3.83
Rot. Bonds8

About N-methyl-N-[6-[methyl-[[(1R,2R)-2-methylcyclopropyl]methyl]amino]-4-[5-[(2R,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanesulfonamide

N-methyl-N-[6-[methyl-[[(1R,2R)-2-methylcyclopropyl]methyl]amino]-4-[5-[(2R,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanesulfonamide (PubChem CID 66811523) has the molecular formula C26H34N6O3S and a molecular weight of 510.66 g/mol. Its IUPAC name is N-methyl-N-[6-[methyl-[[(1R,2R)-2-methylcyclopropyl]methyl]amino]-4-[5-[(2R,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[6-[methyl-[[(1R,2R)-2-methylcyclopropyl]methyl]amino]-4-[5-[(2R,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanesulfonamide
PubChem CID66811523
Molecular FormulaC26H34N6O3S
Molecular Weight510.66 g/mol
Exact Mass510.24
IUPAC NameN-methyl-N-[6-[methyl-[[(1R,2R)-2-methylcyclopropyl]methyl]amino]-4-[5-[(2R,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanesulfonamide
SMILESC[C@@H]1C[C@H]1CN(C)c1cc(-c2nnc([C@@H]3NCCC[C@H]3c3ccccc3)o2)cc(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C26H34N6O3S/c1-17-13-20(17)16-31(2)22-14-19(15-23(28-22)32(3)36(4,33)34)25-29-30-26(35-25)24-21(11-8-12-27-24)18-9-6-5-7-10-18/h5-7,9-10,14-15,17,20-21,24,27H,8,11-13,16H2,1-4H3/t17-,20+,21+,24-/m1/s1
InChIKeyRNLAEQUAUHYEHW-OTXOCUIESA-N
XLogP3.83
TPSA104.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.66
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-methyl-N-[6-[methyl-[[(1R,2R)-2-methylcyclopropyl]methyl]amino]-4-[5-[(2R,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[6-[methyl-[[(1R,2R)-2-methylcyclopropyl]methyl]amino]-4-[5-[(2R,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[6-[methyl-[[(1R,2R)-2-methylcyclopropyl]methyl]amino]-4-[5-[(2R,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanesulfonamide (CID 66811523) is N-methyl-N-[6-[methyl-[[(1R,2R)-2-methylcyclopropyl]methyl]amino]-4-[5-[(2R,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[6-[methyl-[[(1R,2R)-2-methylcyclopropyl]methyl]amino]-4-[5-[(2R,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[6-[methyl-[[(1R,2R)-2-methylcyclopropyl]methyl]amino]-4-[5-[(2R,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanesulfonamide is C[C@@H]1C[C@H]1CN(C)c1cc(-c2nnc([C@@H]3NCCC[C@H]3c3ccccc3)o2)cc(N(C)S(C)(=O)=O)n1.
What is the InChIKey of N-methyl-N-[6-[methyl-[[(1R,2R)-2-methylcyclopropyl]methyl]amino]-4-[5-[(2R,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanesulfonamide?
The InChIKey is RNLAEQUAUHYEHW-OTXOCUIESA-N. The full InChI is InChI=1S/C26H34N6O3S/c1-17-13-20(17)16-31(2)22-14-19(15-23(28-22)32(3)36(4,33)34)25-29-30-26(35-25)24-21(11-8-12-27-24)18-9-6-5-7-10-18/h5-7,9-10,14-15,17,20-21,24,27H,8,11-13,16H2,1-4H3/t17-,20+,21+,24-/m1/s1.
What are the key properties of N-methyl-N-[6-[methyl-[[(1R,2R)-2-methylcyclopropyl]methyl]amino]-4-[5-[(2R,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanesulfonamide?
N-methyl-N-[6-[methyl-[[(1R,2R)-2-methylcyclopropyl]methyl]amino]-4-[5-[(2R,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanesulfonamide has a molecular weight of 510.66 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[6-[methyl-[[(1R,2R)-2-methylcyclopropyl]methyl]amino]-4-[5-[(2R,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 66811523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).