4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide

C22H23N3O3 — CID 109205989

IUPAC4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
SMILESCOCCNc1ccnc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C22H23N3O3/c1-27-14-13-23-19-11-12-24-21(15-19)22(26)25-18-7-9-20(10-8-18)28-16-17-5-3-2-4-6-17/h2-12,15H,13-14,16H2,1H3,(H,23,24)(H,25,26)
InChIKeyZVGSZFCWPQYNKI-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.97
Rot. Bonds9

About 4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide

4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109205989) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
PubChem CID109205989
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
SMILESCOCCNc1ccnc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C22H23N3O3/c1-27-14-13-23-19-11-12-24-21(15-19)22(26)25-18-7-9-20(10-8-18)28-16-17-5-3-2-4-6-17/h2-12,15H,13-14,16H2,1H3,(H,23,24)(H,25,26)
InChIKeyZVGSZFCWPQYNKI-UHFFFAOYSA-N
XLogP3.97
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.97
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide (CID 109205989) is 4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide is COCCNc1ccnc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is ZVGSZFCWPQYNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-14-13-23-19-11-12-24-21(15-19)22(26)25-18-7-9-20(10-8-18)28-16-17-5-3-2-4-6-17/h2-12,15H,13-14,16H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide?
4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109205989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).