N-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]adamantane-1-carboxamide

C22H24N4O4 — CID 3119719

IUPACN-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]adamantane-1-carboxamide
SMILESO=C(NN=Cc1c(O)n(-c2ccccc2)c(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H24N4O4/c27-18-17(19(28)26(21(30)24-18)16-4-2-1-3-5-16)12-23-25-20(29)22-9-13-6-14(10-22)8-15(7-13)11-22/h1-5,12-15,28H,6-11H2,(H,25,29)(H,24,27,30)
InChIKeyHNFXKKBHOIFNGW-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.90
Rot. Bonds4

About N-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]adamantane-1-carboxamide

N-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]adamantane-1-carboxamide (PubChem CID 3119719) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]adamantane-1-carboxamide
PubChem CID3119719
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]adamantane-1-carboxamide
SMILESO=C(NN=Cc1c(O)n(-c2ccccc2)c(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H24N4O4/c27-18-17(19(28)26(21(30)24-18)16-4-2-1-3-5-16)12-23-25-20(29)22-9-13-6-14(10-22)8-15(7-13)11-22/h1-5,12-15,28H,6-11H2,(H,25,29)(H,24,27,30)
InChIKeyHNFXKKBHOIFNGW-UHFFFAOYSA-N
XLogP1.90
TPSA116.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.90
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'}

Analyze N-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-hydroxy-2-(4-methoxyphenyl)-1-oxoisoquinolin-4-yl]methylideneamino]adamantane-1-carboxamide
CID 5237891
N-(benzylideneamino)adamantane-1-carboxamide
CID 2837531
N-[(E)-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]pyridine-3-carboxamide
CID 135733865
N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide
CID 136705004
N-[(E)-(2-benzyl-3-hydroxy-1-oxoisoquinolin-4-yl)methylideneamino]adamantane-1-carboxamide
CID 135691196
1-[(E)-[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea
CID 135752219
(3S,6S)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 135851423
N-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]adamantane-1-carboxamide
CID 6042470
N-[(Z)-(5-methyl-2-naphthalen-1-yl-3-oxo-1H-pyrazol-4-yl)methylideneamino]adamantane-1-carboxamide
CID 135781922
1-[[6-hydroxy-1-(3-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea
CID 3753412
N-[(E)-[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
CID 135469735
N-[(Z)-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]adamantane-1-carboxamide
CID 135781920

Frequently Asked Questions

What is the IUPAC name of N-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]adamantane-1-carboxamide?
The IUPAC name of N-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]adamantane-1-carboxamide (CID 3119719) is N-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]adamantane-1-carboxamide.
What is the SMILES notation for N-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]adamantane-1-carboxamide?
The canonical SMILES for N-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]adamantane-1-carboxamide is O=C(NN=Cc1c(O)n(-c2ccccc2)c(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]adamantane-1-carboxamide?
The InChIKey is HNFXKKBHOIFNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c27-18-17(19(28)26(21(30)24-18)16-4-2-1-3-5-16)12-23-25-20(29)22-9-13-6-14(10-22)8-15(7-13)11-22/h1-5,12-15,28H,6-11H2,(H,25,29)(H,24,27,30).
What are the key properties of N-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]adamantane-1-carboxamide?
N-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]adamantane-1-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]adamantane-1-carboxamide is sourced from PubChem (CID 3119719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).