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

C26H33N5O6S — CID 151898485

IUPAC3-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furo[3,2-b]pyridine-2-carboxamide
SMILESCC(C)C[C@H](C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)C[C@@H]1O)c1c(C(N)=O)oc2cccnc12
InChIInChI=1S/C26H33N5O6S/c1-15(2)13-17(22-23-20(7-6-12-29-23)37-24(22)25(27)33)26(34)30-18-10-9-16(3)31(14-19(18)32)38(35,36)21-8-4-5-11-28-21/h4-8,11-12,15-19,32H,9-10,13-14H2,1-3H3,(H2,27,33)(H,30,34)/t16-,17+,18+,19+/m1/s1
InChIKeySSGFQIYVECVGEW-XWSJACJDSA-N
MW543.65 g/mol
LogP2.17
Rot. Bonds8

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

3-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furo[3,2-b]pyridine-2-carboxamide (PubChem CID 151898485) has the molecular formula C26H33N5O6S and a molecular weight of 543.65 g/mol. Its IUPAC name is 3-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furo[3,2-b]pyridine-2-carboxamide
PubChem CID151898485
Molecular FormulaC26H33N5O6S
Molecular Weight543.65 g/mol
Exact Mass543.22
IUPAC Name3-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furo[3,2-b]pyridine-2-carboxamide
SMILESCC(C)C[C@H](C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)C[C@@H]1O)c1c(C(N)=O)oc2cccnc12
InChIInChI=1S/C26H33N5O6S/c1-15(2)13-17(22-23-20(7-6-12-29-23)37-24(22)25(27)33)26(34)30-18-10-9-16(3)31(14-19(18)32)38(35,36)21-8-4-5-11-28-21/h4-8,11-12,15-19,32H,9-10,13-14H2,1-3H3,(H2,27,33)(H,30,34)/t16-,17+,18+,19+/m1/s1
InChIKeySSGFQIYVECVGEW-XWSJACJDSA-N
XLogP2.17
TPSA168.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.65
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 3-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furo[3,2-b]pyridine-2-carboxamide (CID 151898485) is 3-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furo[3,2-b]pyridine-2-carboxamide is CC(C)C[C@H](C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)C[C@@H]1O)c1c(C(N)=O)oc2cccnc12.
What is the InChIKey of 3-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furo[3,2-b]pyridine-2-carboxamide?
The InChIKey is SSGFQIYVECVGEW-XWSJACJDSA-N. The full InChI is InChI=1S/C26H33N5O6S/c1-15(2)13-17(22-23-20(7-6-12-29-23)37-24(22)25(27)33)26(34)30-18-10-9-16(3)31(14-19(18)32)38(35,36)21-8-4-5-11-28-21/h4-8,11-12,15-19,32H,9-10,13-14H2,1-3H3,(H2,27,33)(H,30,34)/t16-,17+,18+,19+/m1/s1.
What are the key properties of 3-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furo[3,2-b]pyridine-2-carboxamide?
3-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furo[3,2-b]pyridine-2-carboxamide has a molecular weight of 543.65 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 151898485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).