N-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]heptanamide

C13H20N4O4 — CID 135493370

IUPACN-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]heptanamide
SMILESCCCCCCC(=O)N/N=C(\C)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H20N4O4/c1-3-4-5-6-7-9(18)17-16-8(2)10-11(19)14-13(21)15-12(10)20/h3-7H2,1-2H3,(H,17,18)(H3,14,15,19,20,21)/b16-8+
InChIKeyLLHQADWFSCSDAV-LZYBPNLTSA-N
MW296.33 g/mol
LogP0.58
Rot. Bonds7

About N-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]heptanamide

N-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]heptanamide (PubChem CID 135493370) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]heptanamide.

Molecular Properties

Compound NameN-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]heptanamide
PubChem CID135493370
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC NameN-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]heptanamide
SMILESCCCCCCC(=O)N/N=C(\C)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H20N4O4/c1-3-4-5-6-7-9(18)17-16-8(2)10-11(19)14-13(21)15-12(10)20/h3-7H2,1-2H3,(H,17,18)(H3,14,15,19,20,21)/b16-8+
InChIKeyLLHQADWFSCSDAV-LZYBPNLTSA-N
XLogP0.58
TPSA127.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)ethylideneamino]heptanamide
CID 135498934
N-[1-(2-hydroxyphenyl)ethylideneamino]decanamide
CID 3656120
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]octanamide
CID 135458893
N-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]pentanamide
CID 3760321
N-(hexan-2-ylideneamino)octanamide
CID 4148475
N-(pentan-2-ylideneamino)undecanamide
CID 3423517
N-(hexan-2-ylideneamino)heptanamide
CID 4616391
N-[(Z)-1-pyridin-4-ylethylideneamino]nonanamide
CID 6373697
N-[1-(4-ethylphenyl)ethylideneamino]heptanamide
CID 3659452
N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide
CID 6177715
N-[1-(4-ethylphenyl)ethylideneamino]nonanamide
CID 4685925
N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
CID 3558408

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]heptanamide?
The IUPAC name of N-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]heptanamide (CID 135493370) is N-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]heptanamide.
What is the SMILES notation for N-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]heptanamide?
The canonical SMILES for N-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]heptanamide is CCCCCCC(=O)N/N=C(\C)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]heptanamide?
The InChIKey is LLHQADWFSCSDAV-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-3-4-5-6-7-9(18)17-16-8(2)10-11(19)14-13(21)15-12(10)20/h3-7H2,1-2H3,(H,17,18)(H3,14,15,19,20,21)/b16-8+.
What are the key properties of N-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]heptanamide?
N-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]heptanamide has a molecular weight of 296.33 g/mol, XLogP of 0.58, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]heptanamide is sourced from PubChem (CID 135493370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).