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

C17H18Cl2N2O — CID 5026450

IUPACN-benzyl-2,5-dichloro-N-ethyl-4,6-dimethylpyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1c(Cl)nc(C)c(Cl)c1C
InChIInChI=1S/C17H18Cl2N2O/c1-4-21(10-13-8-6-5-7-9-13)17(22)14-11(2)15(18)12(3)20-16(14)19/h5-9H,4,10H2,1-3H3
InChIKeyMFOZNPVJHRHRLP-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.67
Rot. Bonds4

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

N-benzyl-2,5-dichloro-N-ethyl-4,6-dimethylpyridine-3-carboxamide (PubChem CID 5026450) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is N-benzyl-2,5-dichloro-N-ethyl-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,5-dichloro-N-ethyl-4,6-dimethylpyridine-3-carboxamide
PubChem CID5026450
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC NameN-benzyl-2,5-dichloro-N-ethyl-4,6-dimethylpyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1c(Cl)nc(C)c(Cl)c1C
InChIInChI=1S/C17H18Cl2N2O/c1-4-21(10-13-8-6-5-7-9-13)17(22)14-11(2)15(18)12(3)20-16(14)19/h5-9H,4,10H2,1-3H3
InChIKeyMFOZNPVJHRHRLP-UHFFFAOYSA-N
XLogP4.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.67
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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Related Compounds

N-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696304
N-benzyl-6-chloro-N-ethylpyridazine-3-carboxamide
CID 60859356
N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
CID 45285247
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide
CID 70606713
1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777237
N-benzyl-6-chloro-N-ethylimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051180
4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide
CID 82812598
N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 78839583
ethyl 4-[benzyl(ethyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 3516221
N,N-dibenzyl-5-chloro-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 5193342

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,5-dichloro-N-ethyl-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-2,5-dichloro-N-ethyl-4,6-dimethylpyridine-3-carboxamide (CID 5026450) is N-benzyl-2,5-dichloro-N-ethyl-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2,5-dichloro-N-ethyl-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2,5-dichloro-N-ethyl-4,6-dimethylpyridine-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1c(Cl)nc(C)c(Cl)c1C.
What is the InChIKey of N-benzyl-2,5-dichloro-N-ethyl-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is MFOZNPVJHRHRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-4-21(10-13-8-6-5-7-9-13)17(22)14-11(2)15(18)12(3)20-16(14)19/h5-9H,4,10H2,1-3H3.
What are the key properties of N-benzyl-2,5-dichloro-N-ethyl-4,6-dimethylpyridine-3-carboxamide?
N-benzyl-2,5-dichloro-N-ethyl-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 337.25 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,5-dichloro-N-ethyl-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 5026450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).