N-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide

C16H11Cl2N3O2 — CID 99586512

IUPACN-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide
SMILESN#CC1(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CC1
InChIInChI=1S/C16H11Cl2N3O2/c17-11-2-1-3-12(14(11)18)23-13-5-4-10(8-20-13)15(22)21-16(9-19)6-7-16/h1-5,8H,6-7H2,(H,21,22)
InChIKeyAGHINJKIOLFODN-UHFFFAOYSA-N
MW348.19 g/mol
LogP3.97
Rot. Bonds4

About N-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide

N-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide (PubChem CID 99586512) has the molecular formula C16H11Cl2N3O2 and a molecular weight of 348.19 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide
PubChem CID99586512
Molecular FormulaC16H11Cl2N3O2
Molecular Weight348.19 g/mol
Exact Mass347.02
IUPAC NameN-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide
SMILESN#CC1(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CC1
InChIInChI=1S/C16H11Cl2N3O2/c17-11-2-1-3-12(14(11)18)23-13-5-4-10(8-20-13)15(22)21-16(9-19)6-7-16/h1-5,8H,6-7H2,(H,21,22)
InChIKeyAGHINJKIOLFODN-UHFFFAOYSA-N
XLogP3.97
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)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-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide?
The IUPAC name of N-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide (CID 99586512) is N-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide is N#CC1(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide?
The InChIKey is AGHINJKIOLFODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2/c17-11-2-1-3-12(14(11)18)23-13-5-4-10(8-20-13)15(22)21-16(9-19)6-7-16/h1-5,8H,6-7H2,(H,21,22).
What are the key properties of N-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide?
N-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide has a molecular weight of 348.19 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 99586512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).