N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[[(1S)-1-[(1S,2S)-2-methylcyclopropyl]ethyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide

C24H32N6O3S — CID 59651102

IUPACN-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[[(1S)-1-[(1S,2S)-2-methylcyclopropyl]ethyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide
SMILESC[C@H](Nc1cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)cc(N(C)S(C)(=O)=O)n1)[C@H]1C[C@@H]1C
InChIInChI=1S/C24H32N6O3S/c1-15-11-19(15)16(2)26-20-12-18(13-21(27-20)30(4)34(5,31)32)22-28-29-23(33-22)24(3,25)14-17-9-7-6-8-10-17/h6-10,12-13,15-16,19H,11,14,25H2,1-5H3,(H,26,27)/t15-,16-,19-,24+/m0/s1
InChIKeyKPRQEPOUVHUXSX-SAASNCCBSA-N
MW484.63 g/mol
LogP3.40
Rot. Bonds9

About N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[[(1S)-1-[(1S,2S)-2-methylcyclopropyl]ethyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide

N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[[(1S)-1-[(1S,2S)-2-methylcyclopropyl]ethyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide (PubChem CID 59651102) has the molecular formula C24H32N6O3S and a molecular weight of 484.63 g/mol. Its IUPAC name is N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[[(1S)-1-[(1S,2S)-2-methylcyclopropyl]ethyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[[(1S)-1-[(1S,2S)-2-methylcyclopropyl]ethyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide
PubChem CID59651102
Molecular FormulaC24H32N6O3S
Molecular Weight484.63 g/mol
Exact Mass484.23
IUPAC NameN-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[[(1S)-1-[(1S,2S)-2-methylcyclopropyl]ethyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide
SMILESC[C@H](Nc1cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)cc(N(C)S(C)(=O)=O)n1)[C@H]1C[C@@H]1C
InChIInChI=1S/C24H32N6O3S/c1-15-11-19(15)16(2)26-20-12-18(13-21(27-20)30(4)34(5,31)32)22-28-29-23(33-22)24(3,25)14-17-9-7-6-8-10-17/h6-10,12-13,15-16,19H,11,14,25H2,1-5H3,(H,26,27)/t15-,16-,19-,24+/m0/s1
InChIKeyKPRQEPOUVHUXSX-SAASNCCBSA-N
XLogP3.40
TPSA127.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[[(1S)-1-[(1S,2S)-2-methylcyclopropyl]ethyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[[(1S)-1-[(1S,2S)-2-methylcyclopropyl]ethyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[[(1S)-1-[(1S,2S)-2-methylcyclopropyl]ethyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide (CID 59651102) is N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[[(1S)-1-[(1S,2S)-2-methylcyclopropyl]ethyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[[(1S)-1-[(1S,2S)-2-methylcyclopropyl]ethyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[[(1S)-1-[(1S,2S)-2-methylcyclopropyl]ethyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide is C[C@H](Nc1cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)cc(N(C)S(C)(=O)=O)n1)[C@H]1C[C@@H]1C.
What is the InChIKey of N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[[(1S)-1-[(1S,2S)-2-methylcyclopropyl]ethyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
The InChIKey is KPRQEPOUVHUXSX-SAASNCCBSA-N. The full InChI is InChI=1S/C24H32N6O3S/c1-15-11-19(15)16(2)26-20-12-18(13-21(27-20)30(4)34(5,31)32)22-28-29-23(33-22)24(3,25)14-17-9-7-6-8-10-17/h6-10,12-13,15-16,19H,11,14,25H2,1-5H3,(H,26,27)/t15-,16-,19-,24+/m0/s1.
What are the key properties of N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[[(1S)-1-[(1S,2S)-2-methylcyclopropyl]ethyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[[(1S)-1-[(1S,2S)-2-methylcyclopropyl]ethyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide has a molecular weight of 484.63 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[[(1S)-1-[(1S,2S)-2-methylcyclopropyl]ethyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 59651102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).