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

C12H18N4O3 — CID 103538720

IUPAC(3,4-dimethoxypyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
SMILESCOC1CN(C(=O)c2ccnc(NN)c2)CC1OC
InChIInChI=1S/C12H18N4O3/c1-18-9-6-16(7-10(9)19-2)12(17)8-3-4-14-11(5-8)15-13/h3-5,9-10H,6-7,13H2,1-2H3,(H,14,15)
InChIKeyFXAVSLVDDNZWLB-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.15
Rot. Bonds4

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

(3,4-dimethoxypyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone (PubChem CID 103538720) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3,4-dimethoxypyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxypyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
PubChem CID103538720
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(3,4-dimethoxypyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
SMILESCOC1CN(C(=O)c2ccnc(NN)c2)CC1OC
InChIInChI=1S/C12H18N4O3/c1-18-9-6-16(7-10(9)19-2)12(17)8-3-4-14-11(5-8)15-13/h3-5,9-10H,6-7,13H2,1-2H3,(H,14,15)
InChIKeyFXAVSLVDDNZWLB-UHFFFAOYSA-N
XLogP-0.15
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.15
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'}

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxypyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone?
The IUPAC name of (3,4-dimethoxypyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone (CID 103538720) is (3,4-dimethoxypyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone.
What is the SMILES notation for (3,4-dimethoxypyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone?
The canonical SMILES for (3,4-dimethoxypyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone is COC1CN(C(=O)c2ccnc(NN)c2)CC1OC.
What is the InChIKey of (3,4-dimethoxypyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone?
The InChIKey is FXAVSLVDDNZWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-18-9-6-16(7-10(9)19-2)12(17)8-3-4-14-11(5-8)15-13/h3-5,9-10H,6-7,13H2,1-2H3,(H,14,15).
What are the key properties of (3,4-dimethoxypyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone?
(3,4-dimethoxypyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone has a molecular weight of 266.30 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxypyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone is sourced from PubChem (CID 103538720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).