N-[(3S)-7-amino-1-(5-fluoro-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide

C17H25FN4O3 — CID 134347880

IUPACN-[(3S)-7-amino-1-(5-fluoro-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide
SMILESNCCCC[C@H](NC(=O)C1CCCC1)C(=O)Cn1cncc(F)c1=O
InChIInChI=1S/C17H25FN4O3/c18-13-9-20-11-22(17(13)25)10-15(23)14(7-3-4-8-19)21-16(24)12-5-1-2-6-12/h9,11-12,14H,1-8,10,19H2,(H,21,24)/t14-/m0/s1
InChIKeyHGJPFFXPUBCNGY-AWEZNQCLSA-N
MW352.41 g/mol
LogP0.76
Rot. Bonds9

About N-[(3S)-7-amino-1-(5-fluoro-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide

N-[(3S)-7-amino-1-(5-fluoro-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide (PubChem CID 134347880) has the molecular formula C17H25FN4O3 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[(3S)-7-amino-1-(5-fluoro-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-7-amino-1-(5-fluoro-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide
PubChem CID134347880
Molecular FormulaC17H25FN4O3
Molecular Weight352.41 g/mol
Exact Mass352.19
IUPAC NameN-[(3S)-7-amino-1-(5-fluoro-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide
SMILESNCCCC[C@H](NC(=O)C1CCCC1)C(=O)Cn1cncc(F)c1=O
InChIInChI=1S/C17H25FN4O3/c18-13-9-20-11-22(17(13)25)10-15(23)14(7-3-4-8-19)21-16(24)12-5-1-2-6-12/h9,11-12,14H,1-8,10,19H2,(H,21,24)/t14-/m0/s1
InChIKeyHGJPFFXPUBCNGY-AWEZNQCLSA-N
XLogP0.76
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[7-amino-1-(5-methyl-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide
CID 158713063
N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide
CID 134347937
(2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid
CID 22838737
N-[7-amino-1-(2,6-difluoro-3-methylphenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide
CID 157151077
N-[(3S)-1,7-diamino-2-oxo-1-sulfanylideneheptan-3-yl]cyclopentanecarboxamide
CID 121280070
N-[6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide
CID 121266148
N-[7-amino-1-(dimethyl-λ4-sulfanylidene)-2-oxoheptan-3-yl]cyclopentanecarboxamide
CID 142307561
N-[(3S)-7-amino-2-oxo-1-(2,3,6-trifluorophenoxy)heptan-3-yl]cyclopentanecarboxamide;tert-butyl N-[(5S)-5-(cyclopentanecarbonylamino)-6-oxo-7-(2,3,6-trifluorophenoxy)heptyl]carbamate;hydrochloride
CID 159804877
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
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119856460
6-amino-2-(cyclopentylamino)hexanoic acid
CID 19080804
N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopentanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopropanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]-2-phenylacetamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopentanecarboxamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopropanecarboxamide;(2R)-N-[(3S)-7-amino-2-oxoheptan-3-yl]-2-(2-methylpropyl)-4-oxopentanamide;sulfane
CID 160849908

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-7-amino-1-(5-fluoro-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(3S)-7-amino-1-(5-fluoro-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide (CID 134347880) is N-[(3S)-7-amino-1-(5-fluoro-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(3S)-7-amino-1-(5-fluoro-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(3S)-7-amino-1-(5-fluoro-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide is NCCCC[C@H](NC(=O)C1CCCC1)C(=O)Cn1cncc(F)c1=O.
What is the InChIKey of N-[(3S)-7-amino-1-(5-fluoro-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide?
The InChIKey is HGJPFFXPUBCNGY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25FN4O3/c18-13-9-20-11-22(17(13)25)10-15(23)14(7-3-4-8-19)21-16(24)12-5-1-2-6-12/h9,11-12,14H,1-8,10,19H2,(H,21,24)/t14-/m0/s1.
What are the key properties of N-[(3S)-7-amino-1-(5-fluoro-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide?
N-[(3S)-7-amino-1-(5-fluoro-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide has a molecular weight of 352.41 g/mol, XLogP of 0.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-7-amino-1-(5-fluoro-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 134347880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).