5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide

C21H21N3O3 — CID 109184158

IUPAC5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
SMILESCOCCNc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)nc1
InChIInChI=1S/C21H21N3O3/c1-26-14-13-22-17-9-12-20(23-15-17)21(25)24-16-7-10-19(11-8-16)27-18-5-3-2-4-6-18/h2-12,15,22H,13-14H2,1H3,(H,24,25)
InChIKeyNZWQLBVFOCKDRC-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.18
Rot. Bonds8

About 5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide

5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide (PubChem CID 109184158) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
PubChem CID109184158
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
SMILESCOCCNc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)nc1
InChIInChI=1S/C21H21N3O3/c1-26-14-13-22-17-9-12-20(23-15-17)21(25)24-16-7-10-19(11-8-16)27-18-5-3-2-4-6-18/h2-12,15,22H,13-14H2,1H3,(H,24,25)
InChIKeyNZWQLBVFOCKDRC-UHFFFAOYSA-N
XLogP4.18
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184521
5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
CID 109276347
N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109184150
N-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109184098
N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191420
5-(cyclopropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109180189
5-(2-methoxyethylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109184071
5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
CID 109277421
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 109205989
methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109191932
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109184031

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide (CID 109184158) is 5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide is COCCNc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)nc1.
What is the InChIKey of 5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide?
The InChIKey is NZWQLBVFOCKDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-14-13-22-17-9-12-20(23-15-17)21(25)24-16-7-10-19(11-8-16)27-18-5-3-2-4-6-18/h2-12,15,22H,13-14H2,1H3,(H,24,25).
What are the key properties of 5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide?
5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109184158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).