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

C18H28N4O3 — CID 158713063

IUPACN-[7-amino-1-(5-methyl-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide
SMILESCc1cncn(CC(=O)C(CCCCN)NC(=O)C2CCCC2)c1=O
InChIInChI=1S/C18H28N4O3/c1-13-10-20-12-22(18(13)25)11-16(23)15(8-4-5-9-19)21-17(24)14-6-2-3-7-14/h10,12,14-15H,2-9,11,19H2,1H3,(H,21,24)
InChIKeyDZAQCVCLHLEMJF-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.92
Rot. Bonds9

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

N-[7-amino-1-(5-methyl-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide (PubChem CID 158713063) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[7-amino-1-(5-methyl-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[7-amino-1-(5-methyl-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide
PubChem CID158713063
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[7-amino-1-(5-methyl-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide
SMILESCc1cncn(CC(=O)C(CCCCN)NC(=O)C2CCCC2)c1=O
InChIInChI=1S/C18H28N4O3/c1-13-10-20-12-22(18(13)25)11-16(23)15(8-4-5-9-19)21-17(24)14-6-2-3-7-14/h10,12,14-15H,2-9,11,19H2,1H3,(H,21,24)
InChIKeyDZAQCVCLHLEMJF-UHFFFAOYSA-N
XLogP0.92
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.92
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-[(3S)-7-amino-1-(5-fluoro-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide
CID 134347880
N-[7-amino-1-(2,6-difluoro-3-methylphenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide
CID 157151077
(2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid
CID 22838737
N-[(3S)-1,7-diamino-2-oxo-1-sulfanylideneheptan-3-yl]cyclopentanecarboxamide
CID 121280070
N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide
CID 134347937
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
(2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid
CID 154815776
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119856460
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
N-[(3S)-7-amino-1-(2,6-difluoro-3-methylphenoxy)-2-oxoheptan-3-yl]pyridine-4-carboxamide
CID 158855501

Frequently Asked Questions

What is the IUPAC name of N-[7-amino-1-(5-methyl-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[7-amino-1-(5-methyl-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide (CID 158713063) is N-[7-amino-1-(5-methyl-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[7-amino-1-(5-methyl-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[7-amino-1-(5-methyl-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide is Cc1cncn(CC(=O)C(CCCCN)NC(=O)C2CCCC2)c1=O.
What is the InChIKey of N-[7-amino-1-(5-methyl-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide?
The InChIKey is DZAQCVCLHLEMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13-10-20-12-22(18(13)25)11-16(23)15(8-4-5-9-19)21-17(24)14-6-2-3-7-14/h10,12,14-15H,2-9,11,19H2,1H3,(H,21,24).
What are the key properties of N-[7-amino-1-(5-methyl-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide?
N-[7-amino-1-(5-methyl-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide has a molecular weight of 348.45 g/mol, XLogP of 0.92, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-amino-1-(5-methyl-6-oxopyrimidin-1-yl)-2-oxoheptan-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 158713063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).