N-(5-amino-3-bromo-2-pyridinyl)-5-methyloxolane-3-carboxamide

C11H14BrN3O2 — CID 114824269

IUPACN-(5-amino-3-bromo-2-pyridinyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)Nc2ncc(N)cc2Br)CO1
InChIInChI=1S/C11H14BrN3O2/c1-6-2-7(5-17-6)11(16)15-10-9(12)3-8(13)4-14-10/h3-4,6-7H,2,5,13H2,1H3,(H,14,15,16)
InChIKeyQDNKFPUSHAPNOL-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.79
Rot. Bonds2

About N-(5-amino-3-bromo-2-pyridinyl)-5-methyloxolane-3-carboxamide

N-(5-amino-3-bromo-2-pyridinyl)-5-methyloxolane-3-carboxamide (PubChem CID 114824269) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is N-(5-amino-3-bromo-2-pyridinyl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-3-bromo-2-pyridinyl)-5-methyloxolane-3-carboxamide
PubChem CID114824269
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC NameN-(5-amino-3-bromo-2-pyridinyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)Nc2ncc(N)cc2Br)CO1
InChIInChI=1S/C11H14BrN3O2/c1-6-2-7(5-17-6)11(16)15-10-9(12)3-8(13)4-14-10/h3-4,6-7H,2,5,13H2,1H3,(H,14,15,16)
InChIKeyQDNKFPUSHAPNOL-UHFFFAOYSA-N
XLogP1.79
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-5-methyloxolane-3-carboxamide (CID 114824269) is N-(5-amino-3-bromo-2-pyridinyl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(5-amino-3-bromo-2-pyridinyl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(5-amino-3-bromo-2-pyridinyl)-5-methyloxolane-3-carboxamide is CC1CC(C(=O)Nc2ncc(N)cc2Br)CO1.
What is the InChIKey of N-(5-amino-3-bromo-2-pyridinyl)-5-methyloxolane-3-carboxamide?
The InChIKey is QDNKFPUSHAPNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-6-2-7(5-17-6)11(16)15-10-9(12)3-8(13)4-14-10/h3-4,6-7H,2,5,13H2,1H3,(H,14,15,16).
What are the key properties of N-(5-amino-3-bromo-2-pyridinyl)-5-methyloxolane-3-carboxamide?
N-(5-amino-3-bromo-2-pyridinyl)-5-methyloxolane-3-carboxamide has a molecular weight of 300.16 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-bromo-2-pyridinyl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114824269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).