6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide

C22H22N4O3 — CID 109164185

IUPAC6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(Nc3ccc(NC(C)=O)cc3)nc2)cc1
InChIInChI=1S/C22H22N4O3/c1-3-29-20-11-9-19(10-12-20)26-22(28)16-4-13-21(23-14-16)25-18-7-5-17(6-8-18)24-15(2)27/h4-14H,3H2,1-2H3,(H,23,25)(H,24,27)(H,26,28)
InChIKeyWOILAHRXHXREJV-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.43
Rot. Bonds7

About 6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide

6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide (PubChem CID 109164185) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
PubChem CID109164185
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(Nc3ccc(NC(C)=O)cc3)nc2)cc1
InChIInChI=1S/C22H22N4O3/c1-3-29-20-11-9-19(10-12-20)26-22(28)16-4-13-21(23-14-16)25-18-7-5-17(6-8-18)24-15(2)27/h4-14H,3H2,1-2H3,(H,23,25)(H,24,27)(H,26,28)
InChIKeyWOILAHRXHXREJV-UHFFFAOYSA-N
XLogP4.43
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164188
6-[4-(dimethylamino)anilino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164189
N-[6-(4-ethoxyanilino)-3-pyridinyl]acetamide
CID 113019659
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164202
N-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109164154
N-(3-chlorophenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109163439
6-(4-acetamidoanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109164130
6-(4-acetamidoanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163310
2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781
N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164577
N-(2,3-dimethylphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109162787
N-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide
CID 113034324

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide (CID 109164185) is 6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide is CCOc1ccc(NC(=O)c2ccc(Nc3ccc(NC(C)=O)cc3)nc2)cc1.
What is the InChIKey of 6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is WOILAHRXHXREJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-3-29-20-11-9-19(10-12-20)26-22(28)16-4-13-21(23-14-16)25-18-7-5-17(6-8-18)24-15(2)27/h4-14H,3H2,1-2H3,(H,23,25)(H,24,27)(H,26,28).
What are the key properties of 6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109164185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).