N-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide

C22H23N3O4 — CID 109164154

IUPACN-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
SMILESCCOc1ccc(Nc2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cn2)cc1
InChIInChI=1S/C22H23N3O4/c1-4-29-18-9-6-16(7-10-18)24-21-12-5-15(14-23-21)22(26)25-17-8-11-19(27-2)20(13-17)28-3/h5-14H,4H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyGXPMNAGUBIIJME-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.49
Rot. Bonds8

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

N-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide (PubChem CID 109164154) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
PubChem CID109164154
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
SMILESCCOc1ccc(Nc2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cn2)cc1
InChIInChI=1S/C22H23N3O4/c1-4-29-18-9-6-16(7-10-18)24-21-12-5-15(14-23-21)22(26)25-17-8-11-19(27-2)20(13-17)28-3/h5-14H,4H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyGXPMNAGUBIIJME-UHFFFAOYSA-N
XLogP4.49
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-6-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109164098
methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164188
6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164185
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164382
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
N-(3-chlorophenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109163439
2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109178168
6-[4-(dimethylamino)anilino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164189
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164202
6-(4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157190
N-(4-ethoxy-3-methoxyphenyl)-6-fluoropyridine-3-carboxamide
CID 63973929
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide (CID 109164154) is N-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide is CCOc1ccc(Nc2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cn2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide?
The InChIKey is GXPMNAGUBIIJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-4-29-18-9-6-16(7-10-18)24-21-12-5-15(14-23-21)22(26)25-17-8-11-19(27-2)20(13-17)28-3/h5-14H,4H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109164154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).