N-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]pentanamide

C18H22N4O4 — CID 3760321

IUPACN-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]pentanamide
SMILESCCCCC(=O)NN=C(C)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H22N4O4/c1-4-5-6-14(23)21-20-12(3)15-16(24)19-18(26)22(17(15)25)13-9-7-11(2)8-10-13/h7-10,25H,4-6H2,1-3H3,(H,21,23)(H,19,24,26)
InChIKeyNIZIRYQENVTILZ-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.57
Rot. Bonds6

About N-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]pentanamide

N-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]pentanamide (PubChem CID 3760321) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]pentanamide.

Molecular Properties

Compound NameN-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]pentanamide
PubChem CID3760321
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]pentanamide
SMILESCCCCC(=O)NN=C(C)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H22N4O4/c1-4-5-6-14(23)21-20-12(3)15-16(24)19-18(26)22(17(15)25)13-9-7-11(2)8-10-13/h7-10,25H,4-6H2,1-3H3,(H,21,23)(H,19,24,26)
InChIKeyNIZIRYQENVTILZ-UHFFFAOYSA-N
XLogP1.57
TPSA116.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]pentanamide?
The IUPAC name of N-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]pentanamide (CID 3760321) is N-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]pentanamide.
What is the SMILES notation for N-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]pentanamide?
The canonical SMILES for N-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]pentanamide is CCCCC(=O)NN=C(C)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]pentanamide?
The InChIKey is NIZIRYQENVTILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-4-5-6-14(23)21-20-12(3)15-16(24)19-18(26)22(17(15)25)13-9-7-11(2)8-10-13/h7-10,25H,4-6H2,1-3H3,(H,21,23)(H,19,24,26).
What are the key properties of N-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]pentanamide?
N-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]pentanamide has a molecular weight of 358.40 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]pentanamide is sourced from PubChem (CID 3760321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).