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

C26H36ClN7O5S — CID 46880404

IUPACN-[4-[5-[(2R)-2-amino-1-(6-methoxy-3-pyridinyl)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)Cc3ccc(OC)nc3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C26H36ClN7O5S/c1-16-11-18(16)15-34(9-10-37-4)20-12-19(22(27)23(30-20)33(3)40(6,35)36)24-31-32-25(39-24)26(2,28)13-17-7-8-21(38-5)29-14-17/h7-8,12,14,16,18H,9-11,13,15,28H2,1-6H3/t16-,18+,26+/m0/s1
InChIKeyDZFQXGDPUCBOIF-ZTBAGHRESA-N
MW594.14 g/mol
LogP3.11
Rot. Bonds13

About N-[4-[5-[(2R)-2-amino-1-(6-methoxy-3-pyridinyl)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-(6-methoxy-3-pyridinyl)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 46880404) has the molecular formula C26H36ClN7O5S and a molecular weight of 594.14 g/mol. Its IUPAC name is N-[4-[5-[(2R)-2-amino-1-(6-methoxy-3-pyridinyl)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-(6-methoxy-3-pyridinyl)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 CID46880404
Molecular FormulaC26H36ClN7O5S
Molecular Weight594.14 g/mol
Exact Mass593.22
IUPAC NameN-[4-[5-[(2R)-2-amino-1-(6-methoxy-3-pyridinyl)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)Cc3ccc(OC)nc3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C26H36ClN7O5S/c1-16-11-18(16)15-34(9-10-37-4)20-12-19(22(27)23(30-20)33(3)40(6,35)36)24-31-32-25(39-24)26(2,28)13-17-7-8-21(38-5)29-14-17/h7-8,12,14,16,18H,9-11,13,15,28H2,1-6H3/t16-,18+,26+/m0/s1
InChIKeyDZFQXGDPUCBOIF-ZTBAGHRESA-N
XLogP3.11
TPSA149.80 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.14
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[4-[5-[(2R)-2-amino-1-(6-methoxy-3-pyridinyl)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-(6-methoxy-3-pyridinyl)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-(6-methoxy-3-pyridinyl)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 46880404) is N-[4-[5-[(2R)-2-amino-1-(6-methoxy-3-pyridinyl)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-(6-methoxy-3-pyridinyl)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-(6-methoxy-3-pyridinyl)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)Cc3ccc(OC)nc3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1.
What is the InChIKey of N-[4-[5-[(2R)-2-amino-1-(6-methoxy-3-pyridinyl)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 DZFQXGDPUCBOIF-ZTBAGHRESA-N. The full InChI is InChI=1S/C26H36ClN7O5S/c1-16-11-18(16)15-34(9-10-37-4)20-12-19(22(27)23(30-20)33(3)40(6,35)36)24-31-32-25(39-24)26(2,28)13-17-7-8-21(38-5)29-14-17/h7-8,12,14,16,18H,9-11,13,15,28H2,1-6H3/t16-,18+,26+/m0/s1.
What are the key properties of N-[4-[5-[(2R)-2-amino-1-(6-methoxy-3-pyridinyl)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-(6-methoxy-3-pyridinyl)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 594.14 g/mol, XLogP of 3.11, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(2R)-2-amino-1-(6-methoxy-3-pyridinyl)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 46880404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).