N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

C14H14N4O4 — CID 135684068

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCn1c(C(=O)N/N=C/c2ccccc2O)cc(=O)n(C)c1=O
InChIInChI=1S/C14H14N4O4/c1-17-10(7-12(20)18(2)14(17)22)13(21)16-15-8-9-5-3-4-6-11(9)19/h3-8,19H,1-2H3,(H,16,21)/b15-8+
InChIKeyNKSKXMUHAPKIDZ-OVCLIPMQSA-N
MW302.29 g/mol
LogP-0.45
Rot. Bonds3

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 135684068) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
PubChem CID135684068
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCn1c(C(=O)N/N=C/c2ccccc2O)cc(=O)n(C)c1=O
InChIInChI=1S/C14H14N4O4/c1-17-10(7-12(20)18(2)14(17)22)13(21)16-15-8-9-5-3-4-6-11(9)19/h3-8,19H,1-2H3,(H,16,21)/b15-8+
InChIKeyNKSKXMUHAPKIDZ-OVCLIPMQSA-N
XLogP-0.45
TPSA105.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

3,5-dihydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135708473
N-[1-(4-hydroxyphenyl)ethylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 4201618
3-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-5-methylbenzamide
CID 172933707
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide
CID 3596715
4-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135511246
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250
N-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 44724108
4,5-dibromo-N-[(2-hydroxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 152771822
3,5-dichloro-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135578608
3-(dimethylamino)-N-[(2-hydroxyphenyl)methylideneamino]benzamide
CID 137065890
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (CID 135684068) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is Cn1c(C(=O)N/N=C/c2ccccc2O)cc(=O)n(C)c1=O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is NKSKXMUHAPKIDZ-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-17-10(7-12(20)18(2)14(17)22)13(21)16-15-8-9-5-3-4-6-11(9)19/h3-8,19H,1-2H3,(H,16,21)/b15-8+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 302.29 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 135684068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).