N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide

C14H10ClN3O3 — CID 5414197

IUPACN-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1cc2c(cc1Cl)OCO2)c1cccnc1
InChIInChI=1S/C14H10ClN3O3/c15-11-5-13-12(20-8-21-13)4-10(11)7-17-18-14(19)9-2-1-3-16-6-9/h1-7H,8H2,(H,18,19)/b17-7-
InChIKeyMFTXEDAEWWNLCV-IDUWFGFVSA-N
MW303.70 g/mol
LogP2.23
Rot. Bonds3

About N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide

N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide (PubChem CID 5414197) has the molecular formula C14H10ClN3O3 and a molecular weight of 303.70 g/mol. Its IUPAC name is N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide
PubChem CID5414197
Molecular FormulaC14H10ClN3O3
Molecular Weight303.70 g/mol
Exact Mass303.04
IUPAC NameN-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1cc2c(cc1Cl)OCO2)c1cccnc1
InChIInChI=1S/C14H10ClN3O3/c15-11-5-13-12(20-8-21-13)4-10(11)7-17-18-14(19)9-2-1-3-16-6-9/h1-7H,8H2,(H,18,19)/b17-7-
InChIKeyMFTXEDAEWWNLCV-IDUWFGFVSA-N
XLogP2.23
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide 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 N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide (CID 5414197) is N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide is O=C(N/N=C\c1cc2c(cc1Cl)OCO2)c1cccnc1.
What is the InChIKey of N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is MFTXEDAEWWNLCV-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H10ClN3O3/c15-11-5-13-12(20-8-21-13)4-10(11)7-17-18-14(19)9-2-1-3-16-6-9/h1-7H,8H2,(H,18,19)/b17-7-.
What are the key properties of N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide?
N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 303.70 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 5414197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).