N-(2-chloro-3-pyridinyl)-3,4-dimethoxybenzamide

C14H13ClN2O3 — CID 836058

IUPACN-(2-chloro-3-pyridinyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccnc2Cl)cc1OC
InChIInChI=1S/C14H13ClN2O3/c1-19-11-6-5-9(8-12(11)20-2)14(18)17-10-4-3-7-16-13(10)15/h3-8H,1-2H3,(H,17,18)
InChIKeyQOKNJLQXXVWFSH-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.00
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-3,4-dimethoxybenzamide

N-(2-chloro-3-pyridinyl)-3,4-dimethoxybenzamide (PubChem CID 836058) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-3,4-dimethoxybenzamide
PubChem CID836058
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC NameN-(2-chloro-3-pyridinyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccnc2Cl)cc1OC
InChIInChI=1S/C14H13ClN2O3/c1-19-11-6-5-9(8-12(11)20-2)14(18)17-10-4-3-7-16-13(10)15/h3-8H,1-2H3,(H,17,18)
InChIKeyQOKNJLQXXVWFSH-UHFFFAOYSA-N
XLogP3.00
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-3,4-dimethoxybenzamide (CID 836058) is N-(2-chloro-3-pyridinyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cccnc2Cl)cc1OC.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-3,4-dimethoxybenzamide?
The InChIKey is QOKNJLQXXVWFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-19-11-6-5-9(8-12(11)20-2)14(18)17-10-4-3-7-16-13(10)15/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(2-chloro-3-pyridinyl)-3,4-dimethoxybenzamide?
N-(2-chloro-3-pyridinyl)-3,4-dimethoxybenzamide has a molecular weight of 292.72 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 836058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).