5,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide

C13H12Cl2N2O2 — CID 43396021

IUPAC5,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cnc(Cl)c(Cl)c2)o1
InChIInChI=1S/C13H12Cl2N2O2/c1-8-3-4-10(19-8)7-17(2)13(18)9-5-11(14)12(15)16-6-9/h3-6H,7H2,1-2H3
InChIKeySNOFLHSCIDSPJZ-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.56
Rot. Bonds3

About 5,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide

5,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 43396021) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 5,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
PubChem CID43396021
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name5,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cnc(Cl)c(Cl)c2)o1
InChIInChI=1S/C13H12Cl2N2O2/c1-8-3-4-10(19-8)7-17(2)13(18)9-5-11(14)12(15)16-6-9/h3-6H,7H2,1-2H3
InChIKeySNOFLHSCIDSPJZ-UHFFFAOYSA-N
XLogP3.56
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide (CID 43396021) is 5,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide is Cc1ccc(CN(C)C(=O)c2cnc(Cl)c(Cl)c2)o1.
What is the InChIKey of 5,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is SNOFLHSCIDSPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-8-3-4-10(19-8)7-17(2)13(18)9-5-11(14)12(15)16-6-9/h3-6H,7H2,1-2H3.
What are the key properties of 5,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide?
5,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 299.16 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 43396021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).