1-(3-chlorophenyl)-N'-(4-methoxypyrimidin-2-yl)cyclohexane-1-carbohydrazide

C18H21ClN4O2 — CID 60545549

IUPAC1-(3-chlorophenyl)-N'-(4-methoxypyrimidin-2-yl)cyclohexane-1-carbohydrazide
SMILESCOc1ccnc(NNC(=O)C2(c3cccc(Cl)c3)CCCCC2)n1
InChIInChI=1S/C18H21ClN4O2/c1-25-15-8-11-20-17(21-15)23-22-16(24)18(9-3-2-4-10-18)13-6-5-7-14(19)12-13/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyYAYUFZCDTULDLT-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.48
Rot. Bonds5

About 1-(3-chlorophenyl)-N'-(4-methoxypyrimidin-2-yl)cyclohexane-1-carbohydrazide

1-(3-chlorophenyl)-N'-(4-methoxypyrimidin-2-yl)cyclohexane-1-carbohydrazide (PubChem CID 60545549) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N'-(4-methoxypyrimidin-2-yl)cyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N'-(4-methoxypyrimidin-2-yl)cyclohexane-1-carbohydrazide
PubChem CID60545549
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name1-(3-chlorophenyl)-N'-(4-methoxypyrimidin-2-yl)cyclohexane-1-carbohydrazide
SMILESCOc1ccnc(NNC(=O)C2(c3cccc(Cl)c3)CCCCC2)n1
InChIInChI=1S/C18H21ClN4O2/c1-25-15-8-11-20-17(21-15)23-22-16(24)18(9-3-2-4-10-18)13-6-5-7-14(19)12-13/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyYAYUFZCDTULDLT-UHFFFAOYSA-N
XLogP3.48
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N'-(4-methoxypyrimidin-2-yl)cyclohexane-1-carbohydrazide?
The IUPAC name of 1-(3-chlorophenyl)-N'-(4-methoxypyrimidin-2-yl)cyclohexane-1-carbohydrazide (CID 60545549) is 1-(3-chlorophenyl)-N'-(4-methoxypyrimidin-2-yl)cyclohexane-1-carbohydrazide.
What is the SMILES notation for 1-(3-chlorophenyl)-N'-(4-methoxypyrimidin-2-yl)cyclohexane-1-carbohydrazide?
The canonical SMILES for 1-(3-chlorophenyl)-N'-(4-methoxypyrimidin-2-yl)cyclohexane-1-carbohydrazide is COc1ccnc(NNC(=O)C2(c3cccc(Cl)c3)CCCCC2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N'-(4-methoxypyrimidin-2-yl)cyclohexane-1-carbohydrazide?
The InChIKey is YAYUFZCDTULDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-25-15-8-11-20-17(21-15)23-22-16(24)18(9-3-2-4-10-18)13-6-5-7-14(19)12-13/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,24)(H,20,21,23).
What are the key properties of 1-(3-chlorophenyl)-N'-(4-methoxypyrimidin-2-yl)cyclohexane-1-carbohydrazide?
1-(3-chlorophenyl)-N'-(4-methoxypyrimidin-2-yl)cyclohexane-1-carbohydrazide has a molecular weight of 360.85 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N'-(4-methoxypyrimidin-2-yl)cyclohexane-1-carbohydrazide is sourced from PubChem (CID 60545549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).