N-(2,4-dimethoxyphenyl)-5-(4-ethylanilino)pyridine-2-carboxamide

C22H23N3O3 — CID 109198459

IUPACN-(2,4-dimethoxyphenyl)-5-(4-ethylanilino)pyridine-2-carboxamide
SMILESCCc1ccc(Nc2ccc(C(=O)Nc3ccc(OC)cc3OC)nc2)cc1
InChIInChI=1S/C22H23N3O3/c1-4-15-5-7-16(8-6-15)24-17-9-11-20(23-14-17)22(26)25-19-12-10-18(27-2)13-21(19)28-3/h5-14,24H,4H2,1-3H3,(H,25,26)
InChIKeyAWCXAJJNGPCJNR-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.66
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-5-(4-ethylanilino)pyridine-2-carboxamide

N-(2,4-dimethoxyphenyl)-5-(4-ethylanilino)pyridine-2-carboxamide (PubChem CID 109198459) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-(4-ethylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-(4-ethylanilino)pyridine-2-carboxamide
PubChem CID109198459
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(2,4-dimethoxyphenyl)-5-(4-ethylanilino)pyridine-2-carboxamide
SMILESCCc1ccc(Nc2ccc(C(=O)Nc3ccc(OC)cc3OC)nc2)cc1
InChIInChI=1S/C22H23N3O3/c1-4-15-5-7-16(8-6-15)24-17-9-11-20(23-14-17)22(26)25-19-12-10-18(27-2)13-21(19)28-3/h5-14,24H,4H2,1-3H3,(H,25,26)
InChIKeyAWCXAJJNGPCJNR-UHFFFAOYSA-N
XLogP4.66
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-(4-ethylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-(4-ethylanilino)pyridine-2-carboxamide (CID 109198459) is N-(2,4-dimethoxyphenyl)-5-(4-ethylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-(4-ethylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-(4-ethylanilino)pyridine-2-carboxamide is CCc1ccc(Nc2ccc(C(=O)Nc3ccc(OC)cc3OC)nc2)cc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-(4-ethylanilino)pyridine-2-carboxamide?
The InChIKey is AWCXAJJNGPCJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-4-15-5-7-16(8-6-15)24-17-9-11-20(23-14-17)22(26)25-19-12-10-18(27-2)13-21(19)28-3/h5-14,24H,4H2,1-3H3,(H,25,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-(4-ethylanilino)pyridine-2-carboxamide?
N-(2,4-dimethoxyphenyl)-5-(4-ethylanilino)pyridine-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-(4-ethylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109198459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).