N-(3-amino-2,2-dimethylcyclobutyl)-6-oxo-1H-pyridine-2-carboxamide

C12H17N3O2 — CID 114040543

IUPACN-(3-amino-2,2-dimethylcyclobutyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCC1(C)C(N)CC1NC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H17N3O2/c1-12(2)8(13)6-9(12)15-11(17)7-4-3-5-10(16)14-7/h3-5,8-9H,6,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyUFONYQVPAKZMEY-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.23
Rot. Bonds2

About N-(3-amino-2,2-dimethylcyclobutyl)-6-oxo-1H-pyridine-2-carboxamide

N-(3-amino-2,2-dimethylcyclobutyl)-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 114040543) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylcyclobutyl)-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylcyclobutyl)-6-oxo-1H-pyridine-2-carboxamide
PubChem CID114040543
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(3-amino-2,2-dimethylcyclobutyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCC1(C)C(N)CC1NC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H17N3O2/c1-12(2)8(13)6-9(12)15-11(17)7-4-3-5-10(16)14-7/h3-5,8-9H,6,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyUFONYQVPAKZMEY-UHFFFAOYSA-N
XLogP0.23
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-6-oxo-1H-pyridine-2-carboxamide (CID 114040543) is N-(3-amino-2,2-dimethylcyclobutyl)-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylcyclobutyl)-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylcyclobutyl)-6-oxo-1H-pyridine-2-carboxamide is CC1(C)C(N)CC1NC(=O)c1cccc(=O)[nH]1.
What is the InChIKey of N-(3-amino-2,2-dimethylcyclobutyl)-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is UFONYQVPAKZMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(2)8(13)6-9(12)15-11(17)7-4-3-5-10(16)14-7/h3-5,8-9H,6,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(3-amino-2,2-dimethylcyclobutyl)-6-oxo-1H-pyridine-2-carboxamide?
N-(3-amino-2,2-dimethylcyclobutyl)-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylcyclobutyl)-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 114040543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).