N-[(3S)-7-amino-1-(4-methylidenepyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(3-methyl-2-oxopyrazin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-methylsulfonyl-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide;N-[(3S)-7-amino-2-oxo-1-(2-oxo-1-pyridinyl)heptan-3-yl]cyclopentanecarboxamide

C100H153FN20O20S — CID 158343221

IUPACN-[(3S)-7-amino-1-(4-methylidenepyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(3-methyl-2-oxopyrazin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-methylsulfonyl-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide;N-[(3S)-7-amino-2-oxo-1-(2-oxo-1-pyridinyl)heptan-3-yl]cyclopentanecarboxamide
SMILESC=C1C=CN(CC(=O)[C@H](CCCCN)NC(=O)C2CCCC2)C=N1.CS(=O)(=O)CC(=O)[C@H](CCCCN)NC(=O)C1CCCC1.Cc1nccn(CC(=O)[C@H](CCCCN)NC(=O)C2CCCC2)c1=O.NCCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1ccon1.NCCCC[C@H](NC(=O)C1CCCC1)C(=O)Cn1ccccc1=O.NCCCC[C@H](NC(=O)c1cccnc1F)C(=O)COc1ccon1
InChIInChI=1S/C18H28N4O3.C18H28N4O2.C18H27N3O3.C16H19FN4O4.C16H25N3O4.C14H26N2O4S/c1-13-18(25)22(11-10-20-13)12-16(23)15(8-4-5-9-19)21-17(24)14-6-2-3-7-14;1-14-9-11-22(13-20-14)12-17(23)16(8-4-5-10-19)21-18(24)15-6-2-3-7-15;19-11-5-3-9-15(20-18(24)14-7-1-2-8-14)16(22)13-21-12-6-4-10-17(21)23;17-15-11(4-3-8-19-15)16(23)20-12(5-1-2-7-18)13(22)10-24-14-6-9-25-21-14;17-9-4-3-7-13(18-16(21)12-5-1-2-6-12)14(20)11-22-15-8-10-23-19-15;1-21(19,20)10-13(17)12(8-4-5-9-15)16-14(18)11-6-2-3-7-11/h10-11,14-15H,2-9,12,19H2,1H3,(H,21,24);9,11,13,15-16H,1-8,10,12,19H2,(H,21,24);4,6,10,12,14-15H,1-3,5,7-9,11,13,19H2,(H,20,24);3-4,6,8-9,12H,1-2,5,7,10,18H2,(H,20,23);8,10,12-13H,1-7,9,11,17H2,(H,18,21);11-12H,2-10,15H2,1H3,(H,16,18)/t15-;16-;15-;12-;13-;12-/m000000/s1
InChIKeyGRKHHHKLRKMJIE-DGXRKYFESA-N
MW2006.51 g/mol
LogP6.79
Rot. Bonds56

About N-[(3S)-7-amino-1-(4-methylidenepyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(3-methyl-2-oxopyrazin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-methylsulfonyl-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide;N-[(3S)-7-amino-2-oxo-1-(2-oxo-1-pyridinyl)heptan-3-yl]cyclopentanecarboxamide

N-[(3S)-7-amino-1-(4-methylidenepyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(3-methyl-2-oxopyrazin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-methylsulfonyl-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide;N-[(3S)-7-amino-2-oxo-1-(2-oxo-1-pyridinyl)heptan-3-yl]cyclopentanecarboxamide (PubChem CID 158343221) has the molecular formula C100H153FN20O20S and a molecular weight of 2006.51 g/mol. Its IUPAC name is N-[(3S)-7-amino-1-(4-methylidenepyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(3-methyl-2-oxopyrazin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-methylsulfonyl-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide;N-[(3S)-7-amino-2-oxo-1-(2-oxo-1-pyridinyl)heptan-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-7-amino-1-(4-methylidenepyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(3-methyl-2-oxopyrazin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-methylsulfonyl-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide;N-[(3S)-7-amino-2-oxo-1-(2-oxo-1-pyridinyl)heptan-3-yl]cyclopentanecarboxamide
PubChem CID158343221
Molecular FormulaC100H153FN20O20S
Molecular Weight2006.51 g/mol
Exact Mass2005.13
IUPAC NameN-[(3S)-7-amino-1-(4-methylidenepyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(3-methyl-2-oxopyrazin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-methylsulfonyl-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide;N-[(3S)-7-amino-2-oxo-1-(2-oxo-1-pyridinyl)heptan-3-yl]cyclopentanecarboxamide
SMILESC=C1C=CN(CC(=O)[C@H](CCCCN)NC(=O)C2CCCC2)C=N1.CS(=O)(=O)CC(=O)[C@H](CCCCN)NC(=O)C1CCCC1.Cc1nccn(CC(=O)[C@H](CCCCN)NC(=O)C2CCCC2)c1=O.NCCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1ccon1.NCCCC[C@H](NC(=O)C1CCCC1)C(=O)Cn1ccccc1=O.NCCCC[C@H](NC(=O)c1cccnc1F)C(=O)COc1ccon1
InChIInChI=1S/C18H28N4O3.C18H28N4O2.C18H27N3O3.C16H19FN4O4.C16H25N3O4.C14H26N2O4S/c1-13-18(25)22(11-10-20-13)12-16(23)15(8-4-5-9-19)21-17(24)14-6-2-3-7-14;1-14-9-11-22(13-20-14)12-17(23)16(8-4-5-10-19)21-18(24)15-6-2-3-7-15;19-11-5-3-9-15(20-18(24)14-7-1-2-8-14)16(22)13-21-12-6-4-10-17(21)23;17-15-11(4-3-8-19-15)16(23)20-12(5-1-2-7-18)13(22)10-24-14-6-9-25-21-14;17-9-4-3-7-13(18-16(21)12-5-1-2-6-12)14(20)11-22-15-8-10-23-19-15;1-21(19,20)10-13(17)12(8-4-5-9-15)16-14(18)11-6-2-3-7-11/h10-11,14-15H,2-9,12,19H2,1H3,(H,21,24);9,11,13,15-16H,1-8,10,12,19H2,(H,21,24);4,6,10,12,14-15H,1-3,5,7-9,11,13,19H2,(H,20,24);3-4,6,8-9,12H,1-2,5,7,10,18H2,(H,20,23);8,10,12-13H,1-7,9,11,17H2,(H,18,21);11-12H,2-10,15H2,1H3,(H,16,18)/t15-;16-;15-;12-;13-;12-/m000000/s1
InChIKeyGRKHHHKLRKMJIE-DGXRKYFESA-N
XLogP6.79
TPSA623.18 Ų
H-Bond Donors12
H-Bond Acceptors34
Rotatable Bonds56
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002006.51
LogP ≤ 56.79
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3S)-7-amino-1-(4-methylidenepyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(3-methyl-2-oxopyrazin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-methylsulfonyl-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide;N-[(3S)-7-amino-2-oxo-1-(2-oxo-1-pyridinyl)heptan-3-yl]cyclopentanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-7-amino-1-(4-methylidenepyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(3-methyl-2-oxopyrazin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-methylsulfonyl-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide;N-[(3S)-7-amino-2-oxo-1-(2-oxo-1-pyridinyl)heptan-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(3S)-7-amino-1-(4-methylidenepyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(3-methyl-2-oxopyrazin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-methylsulfonyl-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide;N-[(3S)-7-amino-2-oxo-1-(2-oxo-1-pyridinyl)heptan-3-yl]cyclopentanecarboxamide (CID 158343221) is N-[(3S)-7-amino-1-(4-methylidenepyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(3-methyl-2-oxopyrazin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-methylsulfonyl-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide;N-[(3S)-7-amino-2-oxo-1-(2-oxo-1-pyridinyl)heptan-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(3S)-7-amino-1-(4-methylidenepyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(3-methyl-2-oxopyrazin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-methylsulfonyl-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide;N-[(3S)-7-amino-2-oxo-1-(2-oxo-1-pyridinyl)heptan-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(3S)-7-amino-1-(4-methylidenepyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(3-methyl-2-oxopyrazin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-methylsulfonyl-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide;N-[(3S)-7-amino-2-oxo-1-(2-oxo-1-pyridinyl)heptan-3-yl]cyclopentanecarboxamide is C=C1C=CN(CC(=O)[C@H](CCCCN)NC(=O)C2CCCC2)C=N1.CS(=O)(=O)CC(=O)[C@H](CCCCN)NC(=O)C1CCCC1.Cc1nccn(CC(=O)[C@H](CCCCN)NC(=O)C2CCCC2)c1=O.NCCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1ccon1.NCCCC[C@H](NC(=O)C1CCCC1)C(=O)Cn1ccccc1=O.NCCCC[C@H](NC(=O)c1cccnc1F)C(=O)COc1ccon1.
What is the InChIKey of N-[(3S)-7-amino-1-(4-methylidenepyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(3-methyl-2-oxopyrazin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-methylsulfonyl-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide;N-[(3S)-7-amino-2-oxo-1-(2-oxo-1-pyridinyl)heptan-3-yl]cyclopentanecarboxamide?
The InChIKey is GRKHHHKLRKMJIE-DGXRKYFESA-N. The full InChI is InChI=1S/C18H28N4O3.C18H28N4O2.C18H27N3O3.C16H19FN4O4.C16H25N3O4.C14H26N2O4S/c1-13-18(25)22(11-10-20-13)12-16(23)15(8-4-5-9-19)21-17(24)14-6-2-3-7-14;1-14-9-11-22(13-20-14)12-17(23)16(8-4-5-10-19)21-18(24)15-6-2-3-7-15;19-11-5-3-9-15(20-18(24)14-7-1-2-8-14)16(22)13-21-12-6-4-10-17(21)23;17-15-11(4-3-8-19-15)16(23)20-12(5-1-2-7-18)13(22)10-24-14-6-9-25-21-14;17-9-4-3-7-13(18-16(21)12-5-1-2-6-12)14(20)11-22-15-8-10-23-19-15;1-21(19,20)10-13(17)12(8-4-5-9-15)16-14(18)11-6-2-3-7-11/h10-11,14-15H,2-9,12,19H2,1H3,(H,21,24);9,11,13,15-16H,1-8,10,12,19H2,(H,21,24);4,6,10,12,14-15H,1-3,5,7-9,11,13,19H2,(H,20,24);3-4,6,8-9,12H,1-2,5,7,10,18H2,(H,20,23);8,10,12-13H,1-7,9,11,17H2,(H,18,21);11-12H,2-10,15H2,1H3,(H,16,18)/t15-;16-;15-;12-;13-;12-/m000000/s1.
What are the key properties of N-[(3S)-7-amino-1-(4-methylidenepyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(3-methyl-2-oxopyrazin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-methylsulfonyl-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide;N-[(3S)-7-amino-2-oxo-1-(2-oxo-1-pyridinyl)heptan-3-yl]cyclopentanecarboxamide?
N-[(3S)-7-amino-1-(4-methylidenepyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(3-methyl-2-oxopyrazin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-methylsulfonyl-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide;N-[(3S)-7-amino-2-oxo-1-(2-oxo-1-pyridinyl)heptan-3-yl]cyclopentanecarboxamide has a molecular weight of 2006.51 g/mol, XLogP of 6.79, 56 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-7-amino-1-(4-methylidenepyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(3-methyl-2-oxopyrazin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-methylsulfonyl-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide;N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-fluoropyridine-3-carboxamide;N-[(3S)-7-amino-2-oxo-1-(2-oxo-1-pyridinyl)heptan-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 158343221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).