N-benzyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide

C15H14Cl2N2O — CID 778137

IUPACN-benzyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide
SMILESCc1nc(Cl)c(C(=O)NCc2ccccc2)c(C)c1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-9-12(14(17)19-10(2)13(9)16)15(20)18-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyXIBYMUJVJSMNPQ-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.94
Rot. Bonds3

About N-benzyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide

N-benzyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide (PubChem CID 778137) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is N-benzyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide
PubChem CID778137
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC NameN-benzyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide
SMILESCc1nc(Cl)c(C(=O)NCc2ccccc2)c(C)c1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-9-12(14(17)19-10(2)13(9)16)15(20)18-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyXIBYMUJVJSMNPQ-UHFFFAOYSA-N
XLogP3.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-4,6-dimethylnicotinamide
CID 597857
N-Benzyl-6-chloro-nicotinamide
CID 857488
N3-Benzyl-2-chloronicotinamide
CID 2794855
3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 15950461
2-Chloro-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-N-propyl-nicotinamide
CID 44390736
2-Chloro-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-N-hexyl-nicotinamide
CID 44390744
2-chloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide
CID 597845
N-benzyl-2-chloro-4,6-dimethyl-5-nitronicotinamide
CID 707642
2,6-dichloro-4-methyl-N-(2-phenylethyl)pyridine-3-carboxamide
CID 3956566
2,6-dichloro-N-[(4-chlorophenyl)methyl]-4-methylpyridine-3-carboxamide
CID 701019
N-[3,5-Bis(trifluoromethyl)benzyl]-6-chloro-2-methyl-4-phenylnicotinamide
CID 54581251
N-benzyl-5,6-dichloropyridine-3-carboxamide
CID 2115887

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide (CID 778137) is N-benzyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide is Cc1nc(Cl)c(C(=O)NCc2ccccc2)c(C)c1Cl.
What is the InChIKey of N-benzyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is XIBYMUJVJSMNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-9-12(14(17)19-10(2)13(9)16)15(20)18-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,18,20).
What are the key properties of N-benzyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide?
N-benzyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 309.20 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 778137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).