cyclohexyl 4-(pyridine-4-carbonylamino)benzoate

C19H20N2O3 — CID 719338

IUPACcyclohexyl 4-(pyridine-4-carbonylamino)benzoate
SMILESO=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccncc1
InChIInChI=1S/C19H20N2O3/c22-18(14-10-12-20-13-11-14)21-16-8-6-15(7-9-16)19(23)24-17-4-2-1-3-5-17/h6-13,17H,1-5H2,(H,21,22)
InChIKeyPVOOSFGUHCOASL-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.82
Rot. Bonds4

About cyclohexyl 4-(pyridine-4-carbonylamino)benzoate

cyclohexyl 4-(pyridine-4-carbonylamino)benzoate (PubChem CID 719338) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is cyclohexyl 4-(pyridine-4-carbonylamino)benzoate.

Molecular Properties

Compound Namecyclohexyl 4-(pyridine-4-carbonylamino)benzoate
PubChem CID719338
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namecyclohexyl 4-(pyridine-4-carbonylamino)benzoate
SMILESO=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccncc1
InChIInChI=1S/C19H20N2O3/c22-18(14-10-12-20-13-11-14)21-16-8-6-15(7-9-16)19(23)24-17-4-2-1-3-5-17/h6-13,17H,1-5H2,(H,21,22)
InChIKeyPVOOSFGUHCOASL-UHFFFAOYSA-N
XLogP3.82
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate
CID 17128630
cyclododecyl 4-acetamidobenzoate
CID 3973983
N-(4-cyclopentyloxyphenyl)pyridine-4-carboxamide;hydrochloride
CID 110777040
cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate
CID 17128650
cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate
CID 985959
cyclohexyl 4-[(2-aminoacetyl)amino]benzoate
CID 110459441
methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
CID 110756565
cyclohexyl 4-(dimethylcarbamoylamino)benzoate
CID 110443782
cyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 1407181
piperidin-4-yl 4-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
CID 91645336
4-cyclopentyl-N-pyridin-4-ylbenzamide
CID 110464379

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-(pyridine-4-carbonylamino)benzoate?
The IUPAC name of cyclohexyl 4-(pyridine-4-carbonylamino)benzoate (CID 719338) is cyclohexyl 4-(pyridine-4-carbonylamino)benzoate.
What is the SMILES notation for cyclohexyl 4-(pyridine-4-carbonylamino)benzoate?
The canonical SMILES for cyclohexyl 4-(pyridine-4-carbonylamino)benzoate is O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccncc1.
What is the InChIKey of cyclohexyl 4-(pyridine-4-carbonylamino)benzoate?
The InChIKey is PVOOSFGUHCOASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18(14-10-12-20-13-11-14)21-16-8-6-15(7-9-16)19(23)24-17-4-2-1-3-5-17/h6-13,17H,1-5H2,(H,21,22).
What are the key properties of cyclohexyl 4-(pyridine-4-carbonylamino)benzoate?
cyclohexyl 4-(pyridine-4-carbonylamino)benzoate has a molecular weight of 324.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-(pyridine-4-carbonylamino)benzoate is sourced from PubChem (CID 719338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).