N-(4-aminocyclohexyl)-6-oxopyran-3-carboxamide

C12H16N2O3 — CID 79113506

IUPACN-(4-aminocyclohexyl)-6-oxopyran-3-carboxamide
SMILESNC1CCC(NC(=O)c2ccc(=O)oc2)CC1
InChIInChI=1S/C12H16N2O3/c13-9-2-4-10(5-3-9)14-12(16)8-1-6-11(15)17-7-8/h1,6-7,9-10H,2-5,13H2,(H,14,16)
InChIKeyDLLRWWJIELBPFT-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.64
Rot. Bonds2

About N-(4-aminocyclohexyl)-6-oxopyran-3-carboxamide

N-(4-aminocyclohexyl)-6-oxopyran-3-carboxamide (PubChem CID 79113506) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-6-oxopyran-3-carboxamide
PubChem CID79113506
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(4-aminocyclohexyl)-6-oxopyran-3-carboxamide
SMILESNC1CCC(NC(=O)c2ccc(=O)oc2)CC1
InChIInChI=1S/C12H16N2O3/c13-9-2-4-10(5-3-9)14-12(16)8-1-6-11(15)17-7-8/h1,6-7,9-10H,2-5,13H2,(H,14,16)
InChIKeyDLLRWWJIELBPFT-UHFFFAOYSA-N
XLogP0.64
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-aminocyclohexyl)-6-oxopyran-3-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-aminocyclobutyl)-6-oxopyran-3-carboxamide
CID 43594945
6-oxo-N-pyrrolidin-3-ylpyran-3-carboxamide
CID 62379515
4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119478160
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
6-oxopyran-3-carbohydrazide
CID 130710971
N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide
CID 102851590
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-6-oxopyran-3-carboxamide
CID 176502139
N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 43653129
N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 71643856
N-(4-aminocyclohexyl)pyridazine-4-carboxamide
CID 104670019
N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-oxopyran-3-carboxamide
CID 114631311
5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one
CID 94339974

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-6-oxopyran-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-6-oxopyran-3-carboxamide (CID 79113506) is N-(4-aminocyclohexyl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-6-oxopyran-3-carboxamide is NC1CCC(NC(=O)c2ccc(=O)oc2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-6-oxopyran-3-carboxamide?
The InChIKey is DLLRWWJIELBPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-9-2-4-10(5-3-9)14-12(16)8-1-6-11(15)17-7-8/h1,6-7,9-10H,2-5,13H2,(H,14,16).
What are the key properties of N-(4-aminocyclohexyl)-6-oxopyran-3-carboxamide?
N-(4-aminocyclohexyl)-6-oxopyran-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 79113506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).