1-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)cyclopentane-1-carboxamide

C17H24N4O4S — CID 69310639

IUPAC1-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)NC2CCCN(S(=O)(=O)c3ccccn3)CC2=O)CCCC1
InChIInChI=1S/C17H24N4O4S/c18-17(8-2-3-9-17)16(23)20-13-6-5-11-21(12-14(13)22)26(24,25)15-7-1-4-10-19-15/h1,4,7,10,13H,2-3,5-6,8-9,11-12,18H2,(H,20,23)
InChIKeyKNVBAISTBJSSLE-UHFFFAOYSA-N
MW380.47 g/mol
LogP0.19
Rot. Bonds4

About 1-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)cyclopentane-1-carboxamide

1-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)cyclopentane-1-carboxamide (PubChem CID 69310639) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)cyclopentane-1-carboxamide
PubChem CID69310639
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name1-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)NC2CCCN(S(=O)(=O)c3ccccn3)CC2=O)CCCC1
InChIInChI=1S/C17H24N4O4S/c18-17(8-2-3-9-17)16(23)20-13-6-5-11-21(12-14(13)22)26(24,25)15-7-1-4-10-19-15/h1,4,7,10,13H,2-3,5-6,8-9,11-12,18H2,(H,20,23)
InChIKeyKNVBAISTBJSSLE-UHFFFAOYSA-N
XLogP0.19
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)cyclopentane-1-carboxamide (CID 69310639) is 1-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)cyclopentane-1-carboxamide is NC1(C(=O)NC2CCCN(S(=O)(=O)c3ccccn3)CC2=O)CCCC1.
What is the InChIKey of 1-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)cyclopentane-1-carboxamide?
The InChIKey is KNVBAISTBJSSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c18-17(8-2-3-9-17)16(23)20-13-6-5-11-21(12-14(13)22)26(24,25)15-7-1-4-10-19-15/h1,4,7,10,13H,2-3,5-6,8-9,11-12,18H2,(H,20,23).
What are the key properties of 1-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)cyclopentane-1-carboxamide?
1-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)cyclopentane-1-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 69310639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).