N-(2,5-dimethoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide

C22H23N3O3 — CID 109158252

IUPACN-(2,5-dimethoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(NCCc3ccccc3)nc2)c1
InChIInChI=1S/C22H23N3O3/c1-27-18-9-10-20(28-2)19(14-18)25-22(26)17-8-11-21(24-15-17)23-13-12-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyRYWAFTRKFADNFM-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.01
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide

N-(2,5-dimethoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide (PubChem CID 109158252) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
PubChem CID109158252
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(2,5-dimethoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(NCCc3ccccc3)nc2)c1
InChIInChI=1S/C22H23N3O3/c1-27-18-9-10-20(28-2)19(14-18)25-22(26)17-8-11-21(24-15-17)23-13-12-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyRYWAFTRKFADNFM-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158661
N-(2-methoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158244
N-(2-ethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109159006
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109158658
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1447920
N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160801
6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109160906
N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide
CID 109162635
N-(3-acetamidophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158260
N-(3-chloro-2-methylphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158236
N-(4-chlorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109159015
N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246802

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide (CID 109158252) is N-(2,5-dimethoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide is COc1ccc(OC)c(NC(=O)c2ccc(NCCc3ccccc3)nc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is RYWAFTRKFADNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-18-9-10-20(28-2)19(14-18)25-22(26)17-8-11-21(24-15-17)23-13-12-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide?
N-(2,5-dimethoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109158252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).