N-[4-[5-[(2R)-2-amino-1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide

C24H33ClN6O5S — CID 46880405

IUPACN-[4-[5-[(2R)-2-amino-1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide
SMILESCOCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)(N)Cc3ccco3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C24H33ClN6O5S/c1-15-11-16(15)14-31(8-10-34-4)19-12-18(20(25)21(27-19)30(3)37(5,32)33)22-28-29-23(36-22)24(2,26)13-17-7-6-9-35-17/h6-7,9,12,15-16H,8,10-11,13-14,26H2,1-5H3/t15-,16+,24+/m0/s1
InChIKeyINACAHKTZUXVCC-VMPBMTGNSA-N
MW553.09 g/mol
LogP3.30
Rot. Bonds12

About N-[4-[5-[(2R)-2-amino-1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide

N-[4-[5-[(2R)-2-amino-1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide (PubChem CID 46880405) has the molecular formula C24H33ClN6O5S and a molecular weight of 553.09 g/mol. Its IUPAC name is N-[4-[5-[(2R)-2-amino-1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-[(2R)-2-amino-1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide
PubChem CID46880405
Molecular FormulaC24H33ClN6O5S
Molecular Weight553.09 g/mol
Exact Mass552.19
IUPAC NameN-[4-[5-[(2R)-2-amino-1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide
SMILESCOCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)(N)Cc3ccco3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C24H33ClN6O5S/c1-15-11-16(15)14-31(8-10-34-4)19-12-18(20(25)21(27-19)30(3)37(5,32)33)22-28-29-23(36-22)24(2,26)13-17-7-6-9-35-17/h6-7,9,12,15-16H,8,10-11,13-14,26H2,1-5H3/t15-,16+,24+/m0/s1
InChIKeyINACAHKTZUXVCC-VMPBMTGNSA-N
XLogP3.30
TPSA140.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.09
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[4-[5-[(2R)-2-amino-1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]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-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[5-[(2R)-2-amino-1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide (CID 46880405) is N-[4-[5-[(2R)-2-amino-1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[5-[(2R)-2-amino-1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[5-[(2R)-2-amino-1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide is COCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)(N)Cc3ccco3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1.
What is the InChIKey of N-[4-[5-[(2R)-2-amino-1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
The InChIKey is INACAHKTZUXVCC-VMPBMTGNSA-N. The full InChI is InChI=1S/C24H33ClN6O5S/c1-15-11-16(15)14-31(8-10-34-4)19-12-18(20(25)21(27-19)30(3)37(5,32)33)22-28-29-23(36-22)24(2,26)13-17-7-6-9-35-17/h6-7,9,12,15-16H,8,10-11,13-14,26H2,1-5H3/t15-,16+,24+/m0/s1.
What are the key properties of N-[4-[5-[(2R)-2-amino-1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
N-[4-[5-[(2R)-2-amino-1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide has a molecular weight of 553.09 g/mol, XLogP of 3.30, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(2R)-2-amino-1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 46880405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).