5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide

C18H23N3O — CID 109238786

IUPAC5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cncc(Nc2cccc(C)c2C)c1
InChIInChI=1S/C18H23N3O/c1-5-21(6-2)18(22)15-10-16(12-19-11-15)20-17-9-7-8-13(3)14(17)4/h7-12,20H,5-6H2,1-4H3
InChIKeyKASRDJLOIXTLES-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.92
Rot. Bonds5

About 5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide

5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide (PubChem CID 109238786) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide
PubChem CID109238786
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cncc(Nc2cccc(C)c2C)c1
InChIInChI=1S/C18H23N3O/c1-5-21(6-2)18(22)15-10-16(12-19-11-15)20-17-9-7-8-13(3)14(17)4/h7-12,20H,5-6H2,1-4H3
InChIKeyKASRDJLOIXTLES-UHFFFAOYSA-N
XLogP3.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2,3-dimethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106753
5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide
CID 109238796
N,N-diethyl-5-(2-methoxyanilino)pyridine-3-carboxamide
CID 109238813
5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241651
N,N-diethyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109238819
5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109243282
5-(2,3-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109241006
N,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide
CID 109238844
5-(5-chloro-2-methoxyanilino)-N,N-diethylpyridine-3-carboxamide
CID 109238810
5-(2,3-dimethylanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109243291
5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232809
5-(tert-butylamino)-N,N-diethylpyridine-3-carboxamide
CID 109238760

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide?
The IUPAC name of 5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide (CID 109238786) is 5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide?
The canonical SMILES for 5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide is CCN(CC)C(=O)c1cncc(Nc2cccc(C)c2C)c1.
What is the InChIKey of 5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide?
The InChIKey is KASRDJLOIXTLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-5-21(6-2)18(22)15-10-16(12-19-11-15)20-17-9-7-8-13(3)14(17)4/h7-12,20H,5-6H2,1-4H3.
What are the key properties of 5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide?
5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide is sourced from PubChem (CID 109238786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).