N-(3-aminocyclobutyl)-6-oxopyran-3-carboxamide

C10H12N2O3 — CID 43594945

IUPACN-(3-aminocyclobutyl)-6-oxopyran-3-carboxamide
SMILESNC1CC(NC(=O)c2ccc(=O)oc2)C1
InChIInChI=1S/C10H12N2O3/c11-7-3-8(4-7)12-10(14)6-1-2-9(13)15-5-6/h1-2,5,7-8H,3-4,11H2,(H,12,14)
InChIKeyWRLPHARCDMEQMT-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.14
Rot. Bonds2

About N-(3-aminocyclobutyl)-6-oxopyran-3-carboxamide

N-(3-aminocyclobutyl)-6-oxopyran-3-carboxamide (PubChem CID 43594945) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-6-oxopyran-3-carboxamide
PubChem CID43594945
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN-(3-aminocyclobutyl)-6-oxopyran-3-carboxamide
SMILESNC1CC(NC(=O)c2ccc(=O)oc2)C1
InChIInChI=1S/C10H12N2O3/c11-7-3-8(4-7)12-10(14)6-1-2-9(13)15-5-6/h1-2,5,7-8H,3-4,11H2,(H,12,14)
InChIKeyWRLPHARCDMEQMT-UHFFFAOYSA-N
XLogP-0.14
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-6-oxopyran-3-carboxamide
CID 79113506
6-oxo-N-pyrrolidin-3-ylpyran-3-carboxamide
CID 62379515
N-(3-aminocyclobutyl)benzamide
CID 43594893
N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-oxopyran-3-carboxamide
CID 114631311
6-oxopyran-3-carbohydrazide
CID 130710971
N-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide
CID 146249126
N-(3-aminocyclobutyl)furan-2-carboxamide
CID 43594882
N-(3-aminocyclobutyl)thiophene-3-carboxamide
CID 43594920
N-(3-aminocyclobutyl)-4-methyl-3-nitrobenzamide
CID 43595120
5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one
CID 94339974
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-6-oxopyran-3-carboxamide
CID 176502139
N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide
CID 43594956

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-6-oxopyran-3-carboxamide?
The IUPAC name of N-(3-aminocyclobutyl)-6-oxopyran-3-carboxamide (CID 43594945) is N-(3-aminocyclobutyl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(3-aminocyclobutyl)-6-oxopyran-3-carboxamide is NC1CC(NC(=O)c2ccc(=O)oc2)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-6-oxopyran-3-carboxamide?
The InChIKey is WRLPHARCDMEQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-7-3-8(4-7)12-10(14)6-1-2-9(13)15-5-6/h1-2,5,7-8H,3-4,11H2,(H,12,14).
What are the key properties of N-(3-aminocyclobutyl)-6-oxopyran-3-carboxamide?
N-(3-aminocyclobutyl)-6-oxopyran-3-carboxamide has a molecular weight of 208.22 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 43594945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).