N-(2,3-dimethylphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide

C22H23N3O2 — CID 109162787

IUPACN-(2,3-dimethylphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
SMILESCCOc1ccc(Nc2ccc(C(=O)Nc3cccc(C)c3C)cn2)cc1
InChIInChI=1S/C22H23N3O2/c1-4-27-19-11-9-18(10-12-19)24-21-13-8-17(14-23-21)22(26)25-20-7-5-6-15(2)16(20)3/h5-14H,4H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyXXXRALZWJXMQNK-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.09
Rot. Bonds6

About N-(2,3-dimethylphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide

N-(2,3-dimethylphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide (PubChem CID 109162787) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
PubChem CID109162787
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(2,3-dimethylphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
SMILESCCOc1ccc(Nc2ccc(C(=O)Nc3cccc(C)c3C)cn2)cc1
InChIInChI=1S/C22H23N3O2/c1-4-27-19-11-9-18(10-12-19)24-21-13-8-17(14-23-21)22(26)25-20-7-5-6-15(2)16(20)3/h5-14H,4H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyXXXRALZWJXMQNK-UHFFFAOYSA-N
XLogP5.09
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164185
6-(3,4-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109162791
methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164188
N-(3-chlorophenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109163439
6-[4-(dimethylamino)anilino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164189
5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109291428
N-(2,3-dimethylphenyl)-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 26538532
6-(4-acetamidoanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109164130
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide
CID 113017268
N-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109164154
N-(2,3-dimethylphenyl)-6-(2-phenylhydrazinyl)pyridine-3-carboxamide
CID 110178439
N-(2,4-dimethoxyphenyl)-6-(2,3-dimethylanilino)pyridine-3-carboxamide
CID 109162768

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide (CID 109162787) is N-(2,3-dimethylphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide is CCOc1ccc(Nc2ccc(C(=O)Nc3cccc(C)c3C)cn2)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide?
The InChIKey is XXXRALZWJXMQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-27-19-11-9-18(10-12-19)24-21-13-8-17(14-23-21)22(26)25-20-7-5-6-15(2)16(20)3/h5-14H,4H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of N-(2,3-dimethylphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide?
N-(2,3-dimethylphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109162787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).