N-(1-amino-4-methyl-1-oxopentan-2-yl)furo[3,2-b]pyridine-2-carboxamide;1-pyridin-2-ylsulfonylazepan-3-one

C25H31N5O6S — CID 142247575

IUPACN-(1-amino-4-methyl-1-oxopentan-2-yl)furo[3,2-b]pyridine-2-carboxamide;1-pyridin-2-ylsulfonylazepan-3-one
SMILESCC(C)CC(NC(=O)c1cc2ncccc2o1)C(N)=O.O=C1CCCCN(S(=O)(=O)c2ccccn2)C1
InChIInChI=1S/C14H17N3O3.C11H14N2O3S/c1-8(2)6-10(13(15)18)17-14(19)12-7-9-11(20-12)4-3-5-16-9;14-10-5-2-4-8-13(9-10)17(15,16)11-6-1-3-7-12-11/h3-5,7-8,10H,6H2,1-2H3,(H2,15,18)(H,17,19);1,3,6-7H,2,4-5,8-9H2
InChIKeyZCUAJMFJUHLVSR-UHFFFAOYSA-N
MW529.62 g/mol
LogP2.28
Rot. Bonds7

About N-(1-amino-4-methyl-1-oxopentan-2-yl)furo[3,2-b]pyridine-2-carboxamide;1-pyridin-2-ylsulfonylazepan-3-one

N-(1-amino-4-methyl-1-oxopentan-2-yl)furo[3,2-b]pyridine-2-carboxamide;1-pyridin-2-ylsulfonylazepan-3-one (PubChem CID 142247575) has the molecular formula C25H31N5O6S and a molecular weight of 529.62 g/mol. Its IUPAC name is N-(1-amino-4-methyl-1-oxopentan-2-yl)furo[3,2-b]pyridine-2-carboxamide;1-pyridin-2-ylsulfonylazepan-3-one.

Molecular Properties

Compound NameN-(1-amino-4-methyl-1-oxopentan-2-yl)furo[3,2-b]pyridine-2-carboxamide;1-pyridin-2-ylsulfonylazepan-3-one
PubChem CID142247575
Molecular FormulaC25H31N5O6S
Molecular Weight529.62 g/mol
Exact Mass529.20
IUPAC NameN-(1-amino-4-methyl-1-oxopentan-2-yl)furo[3,2-b]pyridine-2-carboxamide;1-pyridin-2-ylsulfonylazepan-3-one
SMILESCC(C)CC(NC(=O)c1cc2ncccc2o1)C(N)=O.O=C1CCCCN(S(=O)(=O)c2ccccn2)C1
InChIInChI=1S/C14H17N3O3.C11H14N2O3S/c1-8(2)6-10(13(15)18)17-14(19)12-7-9-11(20-12)4-3-5-16-9;14-10-5-2-4-8-13(9-10)17(15,16)11-6-1-3-7-12-11/h3-5,7-8,10H,6H2,1-2H3,(H2,15,18)(H,17,19);1,3,6-7H,2,4-5,8-9H2
InChIKeyZCUAJMFJUHLVSR-UHFFFAOYSA-N
XLogP2.28
TPSA165.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.62
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2S)-4-methyl-1-oxo-1-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentan-2-yl]-1-benzofuran-2-carboxamide
CID 139971959
5-fluoro-N-[(2R)-4-methyl-1-oxo-1-[[(4R)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide
CID 59045775
1-pyridin-2-ylsulfonylazocan-3-one
CID 142005243
5-methoxy-N-[(2R)-4-methyl-1-oxo-1-[[(4R)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide
CID 59045843
N-[4-methyl-1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 21036468
N-[(2S)-1-[[(3R,4S)-3-hydroxy-3-methylsulfanyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 11699807
5-bromo-N-[4-methyl-1-oxo-1-[[(2S)-3-oxo-1-pyridin-2-ylsulfonylazepan-2-yl]amino]pentan-2-yl]furan-2-carboxamide
CID 91056722
5,6-difluoro-N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 91249647
N-[4-methyl-1-oxo-1-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]pentan-2-yl]quinoline-5-carboxamide
CID 91410163
4-[2-[[2-[[(2S)-4-methyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]pentan-2-yl]carbamoyl]-1-benzofuran-5-yl]oxy]ethyl]piperazine-1-carboxylic acid
CID 69329148
N-[(2S)-3-cyclohexyl-1-oxo-1-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide
CID 59073592
N-[4-methyl-1-oxo-1-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]pentan-2-yl]quinoline-3-carboxamide
CID 54302244

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methyl-1-oxopentan-2-yl)furo[3,2-b]pyridine-2-carboxamide;1-pyridin-2-ylsulfonylazepan-3-one?
The IUPAC name of N-(1-amino-4-methyl-1-oxopentan-2-yl)furo[3,2-b]pyridine-2-carboxamide;1-pyridin-2-ylsulfonylazepan-3-one (CID 142247575) is N-(1-amino-4-methyl-1-oxopentan-2-yl)furo[3,2-b]pyridine-2-carboxamide;1-pyridin-2-ylsulfonylazepan-3-one.
What is the SMILES notation for N-(1-amino-4-methyl-1-oxopentan-2-yl)furo[3,2-b]pyridine-2-carboxamide;1-pyridin-2-ylsulfonylazepan-3-one?
The canonical SMILES for N-(1-amino-4-methyl-1-oxopentan-2-yl)furo[3,2-b]pyridine-2-carboxamide;1-pyridin-2-ylsulfonylazepan-3-one is CC(C)CC(NC(=O)c1cc2ncccc2o1)C(N)=O.O=C1CCCCN(S(=O)(=O)c2ccccn2)C1.
What is the InChIKey of N-(1-amino-4-methyl-1-oxopentan-2-yl)furo[3,2-b]pyridine-2-carboxamide;1-pyridin-2-ylsulfonylazepan-3-one?
The InChIKey is ZCUAJMFJUHLVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3.C11H14N2O3S/c1-8(2)6-10(13(15)18)17-14(19)12-7-9-11(20-12)4-3-5-16-9;14-10-5-2-4-8-13(9-10)17(15,16)11-6-1-3-7-12-11/h3-5,7-8,10H,6H2,1-2H3,(H2,15,18)(H,17,19);1,3,6-7H,2,4-5,8-9H2.
What are the key properties of N-(1-amino-4-methyl-1-oxopentan-2-yl)furo[3,2-b]pyridine-2-carboxamide;1-pyridin-2-ylsulfonylazepan-3-one?
N-(1-amino-4-methyl-1-oxopentan-2-yl)furo[3,2-b]pyridine-2-carboxamide;1-pyridin-2-ylsulfonylazepan-3-one has a molecular weight of 529.62 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methyl-1-oxopentan-2-yl)furo[3,2-b]pyridine-2-carboxamide;1-pyridin-2-ylsulfonylazepan-3-one is sourced from PubChem (CID 142247575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).