N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-cyclopentylmethanesulfonamide

C30H41ClN6O4S — CID 59028258

About N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-cyclopentylmethanesulfonamide

N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-cyclopentylmethanesulfonamide (PubChem CID 59028258) has the molecular formula C30H41ClN6O4S and a molecular weight of 617.22 g/mol. Its IUPAC name is N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-cyclopentylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-cyclopentylmethanesulfonamide
• PubChem CID: 59028258
• Molecular Formula: C30H41ClN6O4S
• Molecular Weight: 617.22 g/mol
• Exact Mass: 616.26
• IUPAC Name: N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-cyclopentylmethanesulfonamide
• SMILES: COCCN(CC1CC1C)c1cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c(Cl)c(N(C2CCCC2)S(C)(=O)=O)n1
• InChI: InChI=1S/C30H41ClN6O4S/c1-20-16-22(20)19-36(14-15-40-3)25-17-24(26(31)27(33-25)37(42(4,38)39)23-12-8-9-13-23)28-34-35-29(41-28)30(2,32)18-21-10-6-5-7-11-21/h5-7,10-11,17,20,22-23H,8-9,12-16,18-19,32H2,1-4H3/t20?,22?,30-/m1/s1
• InChIKey: FCVALHWPQMGJOD-QNGNIAIQSA-N
• XLogP: 5.02
• TPSA: 127.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.22
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-cyclopentylmethanesulfonamide?

The IUPAC name of N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-cyclopentylmethanesulfonamide (CID 59028258) is N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-cyclopentylmethanesulfonamide.

What is the SMILES notation for N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-cyclopentylmethanesulfonamide?

The canonical SMILES for N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-cyclopentylmethanesulfonamide is COCCN(CC1CC1C)c1cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c(Cl)c(N(C2CCCC2)S(C)(=O)=O)n1.

What is the InChIKey of N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-cyclopentylmethanesulfonamide?

The InChIKey is FCVALHWPQMGJOD-QNGNIAIQSA-N. The full InChI is InChI=1S/C30H41ClN6O4S/c1-20-16-22(20)19-36(14-15-40-3)25-17-24(26(31)27(33-25)37(42(4,38)39)23-12-8-9-13-23)28-34-35-29(41-28)30(2,32)18-21-10-6-5-7-11-21/h5-7,10-11,17,20,22-23H,8-9,12-16,18-19,32H2,1-4H3/t20?,22?,30-/m1/s1.

What are the key properties of N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-cyclopentylmethanesulfonamide?

N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-cyclopentylmethanesulfonamide has a molecular weight of 617.22 g/mol, XLogP of 5.02, 13 rotatable bonds, 1 hydrogen bond donors, and 9 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]-3-chloro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-cyclopentylmethanesulfonamide is sourced from PubChem (CID 59028258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).