5-(2,4-dimethoxyanilino)-N-(2-phenylethyl)pyridine-2-carboxamide

C22H23N3O3 — CID 109191813

IUPAC5-(2,4-dimethoxyanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NCCc3ccccc3)nc2)c(OC)c1
InChIInChI=1S/C22H23N3O3/c1-27-18-9-11-19(21(14-18)28-2)25-17-8-10-20(24-15-17)22(26)23-13-12-16-6-4-3-5-7-16/h3-11,14-15,25H,12-13H2,1-2H3,(H,23,26)
InChIKeyBMLRYKVSVHARDO-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.81
Rot. Bonds8

About 5-(2,4-dimethoxyanilino)-N-(2-phenylethyl)pyridine-2-carboxamide

5-(2,4-dimethoxyanilino)-N-(2-phenylethyl)pyridine-2-carboxamide (PubChem CID 109191813) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 5-(2,4-dimethoxyanilino)-N-(2-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethoxyanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
PubChem CID109191813
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name5-(2,4-dimethoxyanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NCCc3ccccc3)nc2)c(OC)c1
InChIInChI=1S/C22H23N3O3/c1-27-18-9-11-19(21(14-18)28-2)25-17-8-10-20(24-15-17)22(26)23-13-12-16-6-4-3-5-7-16/h3-11,14-15,25H,12-13H2,1-2H3,(H,23,26)
InChIKeyBMLRYKVSVHARDO-UHFFFAOYSA-N
XLogP3.81
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190229
5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188212
5-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109190458
5-(2,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199779
5-(4-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192765
5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191782
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109192362
N-(4-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109200229
N-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109200228
N-[2-(4-fluorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109192365
5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192774
N-[2-(4-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109193668

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyanilino)-N-(2-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2,4-dimethoxyanilino)-N-(2-phenylethyl)pyridine-2-carboxamide (CID 109191813) is 5-(2,4-dimethoxyanilino)-N-(2-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,4-dimethoxyanilino)-N-(2-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2,4-dimethoxyanilino)-N-(2-phenylethyl)pyridine-2-carboxamide is COc1ccc(Nc2ccc(C(=O)NCCc3ccccc3)nc2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyanilino)-N-(2-phenylethyl)pyridine-2-carboxamide?
The InChIKey is BMLRYKVSVHARDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-18-9-11-19(21(14-18)28-2)25-17-8-10-20(24-15-17)22(26)23-13-12-16-6-4-3-5-7-16/h3-11,14-15,25H,12-13H2,1-2H3,(H,23,26).
What are the key properties of 5-(2,4-dimethoxyanilino)-N-(2-phenylethyl)pyridine-2-carboxamide?
5-(2,4-dimethoxyanilino)-N-(2-phenylethyl)pyridine-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyanilino)-N-(2-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109191813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).