Skip to content

1-[3-bromo-6-[(4,5-diamino-2-methyl-6-nitroso-3-pyridinyl)methyl]-2-pyridinyl]-3-methylazetidin-3-ol

C16H19BrN6O2 — CID 134242163

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[3-bromo-6-[(4,5-diamino-2-methyl-6-nitroso-3-pyridinyl)methyl]-2-pyridinyl]-3-methylazetidin-3-ol
SMILESCc1nc(N=O)c(N)c(N)c1Cc1ccc(Br)c(N2CC(C)(O)C2)n1
InChIInChI=1S/C16H19BrN6O2/c1-8-10(12(18)13(19)14(20-8)22-25)5-9-3-4-11(17)15(21-9)23-6-16(2,24)7-23/h3-4,24H,5-7,19H2,1-2H3,(H2,18,20)
InChIKeyINIDRSHLIWJCFF-UHFFFAOYSA-N
MW407.27 g/mol
LogP2.27
Rot. Bonds4

About 1-[3-bromo-6-[(4,5-diamino-2-methyl-6-nitroso-3-pyridinyl)methyl]-2-pyridinyl]-3-methylazetidin-3-ol

1-[3-bromo-6-[(4,5-diamino-2-methyl-6-nitroso-3-pyridinyl)methyl]-2-pyridinyl]-3-methylazetidin-3-ol (PubChem CID 134242163) has the molecular formula C16H19BrN6O2 and a molecular weight of 407.27 g/mol. Its IUPAC name is 1-[3-bromo-6-[(4,5-diamino-2-methyl-6-nitroso-3-pyridinyl)methyl]-2-pyridinyl]-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-[3-bromo-6-[(4,5-diamino-2-methyl-6-nitroso-3-pyridinyl)methyl]-2-pyridinyl]-3-methylazetidin-3-ol
PubChem CID134242163
Molecular FormulaC16H19BrN6O2
Molecular Weight407.27 g/mol
Exact Mass406.08
IUPAC Name1-[3-bromo-6-[(4,5-diamino-2-methyl-6-nitroso-3-pyridinyl)methyl]-2-pyridinyl]-3-methylazetidin-3-ol
SMILESCc1nc(N=O)c(N)c(N)c1Cc1ccc(Br)c(N2CC(C)(O)C2)n1
InChIInChI=1S/C16H19BrN6O2/c1-8-10(12(18)13(19)14(20-8)22-25)5-9-3-4-11(17)15(21-9)23-6-16(2,24)7-23/h3-4,24H,5-7,19H2,1-2H3,(H2,18,20)
InChIKeyINIDRSHLIWJCFF-UHFFFAOYSA-N
XLogP2.27
TPSA130.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[3-bromo-6-[(4,5-diamino-2-methyl-6-nitroso-3-pyridinyl)methyl]-2-pyridinyl]-3-methylazetidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-6-[(4,5-diamino-2-methyl-6-nitroso-3-pyridinyl)methyl]-2-pyridinyl]-3-methylazetidin-3-ol?
The IUPAC name of 1-[3-bromo-6-[(4,5-diamino-2-methyl-6-nitroso-3-pyridinyl)methyl]-2-pyridinyl]-3-methylazetidin-3-ol (CID 134242163) is 1-[3-bromo-6-[(4,5-diamino-2-methyl-6-nitroso-3-pyridinyl)methyl]-2-pyridinyl]-3-methylazetidin-3-ol.
What is the SMILES notation for 1-[3-bromo-6-[(4,5-diamino-2-methyl-6-nitroso-3-pyridinyl)methyl]-2-pyridinyl]-3-methylazetidin-3-ol?
The canonical SMILES for 1-[3-bromo-6-[(4,5-diamino-2-methyl-6-nitroso-3-pyridinyl)methyl]-2-pyridinyl]-3-methylazetidin-3-ol is Cc1nc(N=O)c(N)c(N)c1Cc1ccc(Br)c(N2CC(C)(O)C2)n1.
What is the InChIKey of 1-[3-bromo-6-[(4,5-diamino-2-methyl-6-nitroso-3-pyridinyl)methyl]-2-pyridinyl]-3-methylazetidin-3-ol?
The InChIKey is INIDRSHLIWJCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN6O2/c1-8-10(12(18)13(19)14(20-8)22-25)5-9-3-4-11(17)15(21-9)23-6-16(2,24)7-23/h3-4,24H,5-7,19H2,1-2H3,(H2,18,20).
What are the key properties of 1-[3-bromo-6-[(4,5-diamino-2-methyl-6-nitroso-3-pyridinyl)methyl]-2-pyridinyl]-3-methylazetidin-3-ol?
1-[3-bromo-6-[(4,5-diamino-2-methyl-6-nitroso-3-pyridinyl)methyl]-2-pyridinyl]-3-methylazetidin-3-ol has a molecular weight of 407.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-6-[(4,5-diamino-2-methyl-6-nitroso-3-pyridinyl)methyl]-2-pyridinyl]-3-methylazetidin-3-ol is sourced from PubChem (CID 134242163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.