N'-(3-cyclohexyl-2,4-dioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-7-yl)benzohydrazide

C20H24N4O3 — CID 45133447

IUPACN'-(3-cyclohexyl-2,4-dioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-7-yl)benzohydrazide
SMILESO=C(NNC1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O)c1ccccc1
InChIInChI=1S/C20H24N4O3/c25-18(13-7-3-1-4-8-13)23-22-16-12-11-15-17(16)21-20(27)24(19(15)26)14-9-5-2-6-10-14/h1,3-4,7-8,14,16,22H,2,5-6,9-12H2,(H,21,27)(H,23,25)
InChIKeySIVZFDWGWMPBAM-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.96
Rot. Bonds4

About N'-(3-cyclohexyl-2,4-dioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-7-yl)benzohydrazide

N'-(3-cyclohexyl-2,4-dioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-7-yl)benzohydrazide (PubChem CID 45133447) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N'-(3-cyclohexyl-2,4-dioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-7-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(3-cyclohexyl-2,4-dioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-7-yl)benzohydrazide
PubChem CID45133447
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN'-(3-cyclohexyl-2,4-dioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-7-yl)benzohydrazide
SMILESO=C(NNC1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O)c1ccccc1
InChIInChI=1S/C20H24N4O3/c25-18(13-7-3-1-4-8-13)23-22-16-12-11-15-17(16)21-20(27)24(19(15)26)14-9-5-2-6-10-14/h1,3-4,7-8,14,16,22H,2,5-6,9-12H2,(H,21,27)(H,23,25)
InChIKeySIVZFDWGWMPBAM-UHFFFAOYSA-N
XLogP1.96
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(7R)-3-cyclohexyl-7-phenoxy-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
CID 51700893
(7S)-3-cyclohexyl-7-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
CID 51700698
(7S)-3-cyclohexyl-7-(4-methoxyanilino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
CID 39847813
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765
1-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232129
3-cyclohexyl-4-hydroxy-5-phenyl-1H-imidazol-2-one
CID 91286309
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
N-(1-cyclopentylpyrrolidin-2-yl)benzamide
CID 90727034
N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 948119
3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;pyrimidine
CID 70499128
3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261439
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90490167

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclohexyl-2,4-dioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-7-yl)benzohydrazide?
The IUPAC name of N'-(3-cyclohexyl-2,4-dioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-7-yl)benzohydrazide (CID 45133447) is N'-(3-cyclohexyl-2,4-dioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-7-yl)benzohydrazide.
What is the SMILES notation for N'-(3-cyclohexyl-2,4-dioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-7-yl)benzohydrazide?
The canonical SMILES for N'-(3-cyclohexyl-2,4-dioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-7-yl)benzohydrazide is O=C(NNC1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O)c1ccccc1.
What is the InChIKey of N'-(3-cyclohexyl-2,4-dioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-7-yl)benzohydrazide?
The InChIKey is SIVZFDWGWMPBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-18(13-7-3-1-4-8-13)23-22-16-12-11-15-17(16)21-20(27)24(19(15)26)14-9-5-2-6-10-14/h1,3-4,7-8,14,16,22H,2,5-6,9-12H2,(H,21,27)(H,23,25).
What are the key properties of N'-(3-cyclohexyl-2,4-dioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-7-yl)benzohydrazide?
N'-(3-cyclohexyl-2,4-dioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-7-yl)benzohydrazide has a molecular weight of 368.44 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyclohexyl-2,4-dioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-7-yl)benzohydrazide is sourced from PubChem (CID 45133447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).