5,6-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide

C15H14Cl2N2O2 — CID 60789641

IUPAC5,6-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCOCc1cccc(CNC(=O)c2cnc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-21-9-11-4-2-3-10(5-11)7-19-15(20)12-6-13(16)14(17)18-8-12/h2-6,8H,7,9H2,1H3,(H,19,20)
InChIKeyWJRCRULDGRVMFR-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.46
Rot. Bonds5

About 5,6-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide

5,6-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 60789641) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 5,6-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID60789641
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name5,6-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCOCc1cccc(CNC(=O)c2cnc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-21-9-11-4-2-3-10(5-11)7-19-15(20)12-6-13(16)14(17)18-8-12/h2-6,8H,7,9H2,1H3,(H,19,20)
InChIKeyWJRCRULDGRVMFR-UHFFFAOYSA-N
XLogP3.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 63311124
5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55769960
3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 61003064
5,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 62537774
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752430
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
3-ethoxy-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479176
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 43400487
6-amino-N-benzyl-5-chloropyridine-3-carboxamide
CID 62153073
5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 115590920
4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479173

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide (CID 60789641) is 5,6-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide is COCc1cccc(CNC(=O)c2cnc(Cl)c(Cl)c2)c1.
What is the InChIKey of 5,6-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is WJRCRULDGRVMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-21-9-11-4-2-3-10(5-11)7-19-15(20)12-6-13(16)14(17)18-8-12/h2-6,8H,7,9H2,1H3,(H,19,20).
What are the key properties of 5,6-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
5,6-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 60789641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).