N-benzyl-2,6-dichloro-N,4-dimethylpyridine-3-carboxamide

C15H14Cl2N2O — CID 707666

IUPACN-benzyl-2,6-dichloro-N,4-dimethylpyridine-3-carboxamide
SMILESCc1cc(Cl)nc(Cl)c1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H14Cl2N2O/c1-10-8-12(16)18-14(17)13(10)15(20)19(2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyBZEGVTCFWGSIKM-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.97
Rot. Bonds3

About N-benzyl-2,6-dichloro-N,4-dimethylpyridine-3-carboxamide

N-benzyl-2,6-dichloro-N,4-dimethylpyridine-3-carboxamide (PubChem CID 707666) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is N-benzyl-2,6-dichloro-N,4-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,6-dichloro-N,4-dimethylpyridine-3-carboxamide
PubChem CID707666
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC NameN-benzyl-2,6-dichloro-N,4-dimethylpyridine-3-carboxamide
SMILESCc1cc(Cl)nc(Cl)c1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H14Cl2N2O/c1-10-8-12(16)18-14(17)13(10)15(20)19(2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyBZEGVTCFWGSIKM-UHFFFAOYSA-N
XLogP3.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-benzyl-2,6-dichloro-N,4-dimethylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-2,6-dichloro-N,4-dimethylpyridine-3-carboxamide (CID 707666) is N-benzyl-2,6-dichloro-N,4-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2,6-dichloro-N,4-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2,6-dichloro-N,4-dimethylpyridine-3-carboxamide is Cc1cc(Cl)nc(Cl)c1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-2,6-dichloro-N,4-dimethylpyridine-3-carboxamide?
The InChIKey is BZEGVTCFWGSIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-10-8-12(16)18-14(17)13(10)15(20)19(2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of N-benzyl-2,6-dichloro-N,4-dimethylpyridine-3-carboxamide?
N-benzyl-2,6-dichloro-N,4-dimethylpyridine-3-carboxamide has a molecular weight of 309.20 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,6-dichloro-N,4-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 707666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).