(3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone

C12H17ClN4O3 — CID 103538715

IUPAC(3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2nc(NN)ccc2Cl)CC1OC
InChIInChI=1S/C12H17ClN4O3/c1-19-8-5-17(6-9(8)20-2)12(18)11-7(13)3-4-10(15-11)16-14/h3-4,8-9H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyDJRTTYZMMPTGKR-UHFFFAOYSA-N
MW300.75 g/mol
LogP0.51
Rot. Bonds4

About (3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone

(3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone (PubChem CID 103538715) has the molecular formula C12H17ClN4O3 and a molecular weight of 300.75 g/mol. Its IUPAC name is (3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
PubChem CID103538715
Molecular FormulaC12H17ClN4O3
Molecular Weight300.75 g/mol
Exact Mass300.10
IUPAC Name(3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2nc(NN)ccc2Cl)CC1OC
InChIInChI=1S/C12H17ClN4O3/c1-19-8-5-17(6-9(8)20-2)12(18)11-7(13)3-4-10(15-11)16-14/h3-4,8-9H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyDJRTTYZMMPTGKR-UHFFFAOYSA-N
XLogP0.51
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone 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 (3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone?
The IUPAC name of (3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone (CID 103538715) is (3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone?
The canonical SMILES for (3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone is COC1CN(C(=O)c2nc(NN)ccc2Cl)CC1OC.
What is the InChIKey of (3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone?
The InChIKey is DJRTTYZMMPTGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O3/c1-19-8-5-17(6-9(8)20-2)12(18)11-7(13)3-4-10(15-11)16-14/h3-4,8-9H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of (3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone?
(3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone has a molecular weight of 300.75 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 103538715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).