cyclohexanamine;1-cyclohexyl-4-oxo-6-phenylpyridine-3-carboxylic acid

C24H32N2O3 — CID 70567624

IUPACcyclohexanamine;1-cyclohexyl-4-oxo-6-phenylpyridine-3-carboxylic acid
SMILESNC1CCCCC1.O=C(O)c1cn(C2CCCCC2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C18H19NO3.C6H13N/c20-17-11-16(13-7-3-1-4-8-13)19(12-15(17)18(21)22)14-9-5-2-6-10-14;7-6-4-2-1-3-5-6/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H,21,22);6H,1-5,7H2
InChIKeyLWYKYQCVSVOLMC-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.00
Rot. Bonds3

About cyclohexanamine;1-cyclohexyl-4-oxo-6-phenylpyridine-3-carboxylic acid

cyclohexanamine;1-cyclohexyl-4-oxo-6-phenylpyridine-3-carboxylic acid (PubChem CID 70567624) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is cyclohexanamine;1-cyclohexyl-4-oxo-6-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Namecyclohexanamine;1-cyclohexyl-4-oxo-6-phenylpyridine-3-carboxylic acid
PubChem CID70567624
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Namecyclohexanamine;1-cyclohexyl-4-oxo-6-phenylpyridine-3-carboxylic acid
SMILESNC1CCCCC1.O=C(O)c1cn(C2CCCCC2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C18H19NO3.C6H13N/c20-17-11-16(13-7-3-1-4-8-13)19(12-15(17)18(21)22)14-9-5-2-6-10-14;7-6-4-2-1-3-5-6/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H,21,22);6H,1-5,7H2
InChIKeyLWYKYQCVSVOLMC-UHFFFAOYSA-N
XLogP5.00
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;1-cyclohexyl-4-oxo-6-phenylpyridine-3-carboxylic acid?
The IUPAC name of cyclohexanamine;1-cyclohexyl-4-oxo-6-phenylpyridine-3-carboxylic acid (CID 70567624) is cyclohexanamine;1-cyclohexyl-4-oxo-6-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for cyclohexanamine;1-cyclohexyl-4-oxo-6-phenylpyridine-3-carboxylic acid?
The canonical SMILES for cyclohexanamine;1-cyclohexyl-4-oxo-6-phenylpyridine-3-carboxylic acid is NC1CCCCC1.O=C(O)c1cn(C2CCCCC2)c(-c2ccccc2)cc1=O.
What is the InChIKey of cyclohexanamine;1-cyclohexyl-4-oxo-6-phenylpyridine-3-carboxylic acid?
The InChIKey is LWYKYQCVSVOLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3.C6H13N/c20-17-11-16(13-7-3-1-4-8-13)19(12-15(17)18(21)22)14-9-5-2-6-10-14;7-6-4-2-1-3-5-6/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H,21,22);6H,1-5,7H2.
What are the key properties of cyclohexanamine;1-cyclohexyl-4-oxo-6-phenylpyridine-3-carboxylic acid?
cyclohexanamine;1-cyclohexyl-4-oxo-6-phenylpyridine-3-carboxylic acid has a molecular weight of 396.53 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;1-cyclohexyl-4-oxo-6-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 70567624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).