N-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylfuro[3,2-b]pyridine-2-carboxamide

C27H35N5O6S — CID 59827289

About N-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylfuro[3,2-b]pyridine-2-carboxamide

N-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylfuro[3,2-b]pyridine-2-carboxamide (PubChem CID 59827289) has the molecular formula C27H35N5O6S and a molecular weight of 557.67 g/mol. Its IUPAC name is N-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylfuro[3,2-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylfuro[3,2-b]pyridine-2-carboxamide
• PubChem CID: 59827289
• Molecular Formula: C27H35N5O6S
• Molecular Weight: 557.67 g/mol
• Exact Mass: 557.23
• IUPAC Name: N-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylfuro[3,2-b]pyridine-2-carboxamide
• SMILES: Cc1c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](C)N(S(=O)(=O)c3ccccn3)C[C@@H]2O)oc2cccnc12
• InChI: InChI=1S/C27H35N5O6S/c1-16(2)14-20(31-27(35)25-18(4)24-22(38-25)8-7-13-29-24)26(34)30-19-11-10-17(3)32(15-21(19)33)39(36,37)23-9-5-6-12-28-23/h5-9,12-13,16-17,19-21,33H,10-11,14-15H2,1-4H3,(H,30,34)(H,31,35)/t17-,19+,20+,21+/m1/s1
• InChIKey: BEWBCZCMSXITCA-HZEGPAAWSA-N
• XLogP: 2.39
• TPSA: 154.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.67
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylfuro[3,2-b]pyridine-2-carboxamide?

The IUPAC name of N-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylfuro[3,2-b]pyridine-2-carboxamide (CID 59827289) is N-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylfuro[3,2-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylfuro[3,2-b]pyridine-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylfuro[3,2-b]pyridine-2-carboxamide is Cc1c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](C)N(S(=O)(=O)c3ccccn3)C[C@@H]2O)oc2cccnc12.

What is the InChIKey of N-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylfuro[3,2-b]pyridine-2-carboxamide?

The InChIKey is BEWBCZCMSXITCA-HZEGPAAWSA-N. The full InChI is InChI=1S/C27H35N5O6S/c1-16(2)14-20(31-27(35)25-18(4)24-22(38-25)8-7-13-29-24)26(34)30-19-11-10-17(3)32(15-21(19)33)39(36,37)23-9-5-6-12-28-23/h5-9,12-13,16-17,19-21,33H,10-11,14-15H2,1-4H3,(H,30,34)(H,31,35)/t17-,19+,20+,21+/m1/s1.

What are the key properties of N-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylfuro[3,2-b]pyridine-2-carboxamide?

N-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylfuro[3,2-b]pyridine-2-carboxamide has a molecular weight of 557.67 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylfuro[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 59827289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).