[[2-(dimethylamino)-3-pyridinyl]methylideneamino] acetate

C10H13N3O2 — CID 174960095

IUPAC[[2-(dimethylamino)-3-pyridinyl]methylideneamino] acetate
SMILESCC(=O)ON=Cc1cccnc1N(C)C
InChIInChI=1S/C10H13N3O2/c1-8(14)15-12-7-9-5-4-6-11-10(9)13(2)3/h4-7H,1-3H3
InChIKeyDDPVMESNIBPDGP-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.04
Rot. Bonds3

About [[2-(dimethylamino)-3-pyridinyl]methylideneamino] acetate

[[2-(dimethylamino)-3-pyridinyl]methylideneamino] acetate (PubChem CID 174960095) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is [[2-(dimethylamino)-3-pyridinyl]methylideneamino] acetate.

Molecular Properties

Compound Name[[2-(dimethylamino)-3-pyridinyl]methylideneamino] acetate
PubChem CID174960095
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name[[2-(dimethylamino)-3-pyridinyl]methylideneamino] acetate
SMILESCC(=O)ON=Cc1cccnc1N(C)C
InChIInChI=1S/C10H13N3O2/c1-8(14)15-12-7-9-5-4-6-11-10(9)13(2)3/h4-7H,1-3H3
InChIKeyDDPVMESNIBPDGP-UHFFFAOYSA-N
XLogP1.04
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[2-(dimethylamino)-3-pyridinyl]methylideneamino] acetate 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 [[2-(dimethylamino)-3-pyridinyl]methylideneamino] acetate?
The IUPAC name of [[2-(dimethylamino)-3-pyridinyl]methylideneamino] acetate (CID 174960095) is [[2-(dimethylamino)-3-pyridinyl]methylideneamino] acetate.
What is the SMILES notation for [[2-(dimethylamino)-3-pyridinyl]methylideneamino] acetate?
The canonical SMILES for [[2-(dimethylamino)-3-pyridinyl]methylideneamino] acetate is CC(=O)ON=Cc1cccnc1N(C)C.
What is the InChIKey of [[2-(dimethylamino)-3-pyridinyl]methylideneamino] acetate?
The InChIKey is DDPVMESNIBPDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-8(14)15-12-7-9-5-4-6-11-10(9)13(2)3/h4-7H,1-3H3.
What are the key properties of [[2-(dimethylamino)-3-pyridinyl]methylideneamino] acetate?
[[2-(dimethylamino)-3-pyridinyl]methylideneamino] acetate has a molecular weight of 207.23 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(dimethylamino)-3-pyridinyl]methylideneamino] acetate is sourced from PubChem (CID 174960095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).