5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide

C22H23N3O3 — CID 109184521

IUPAC5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)nc1
InChIInChI=1S/C22H23N3O3/c1-27-15-5-14-23-18-10-13-21(24-16-18)22(26)25-17-8-11-20(12-9-17)28-19-6-3-2-4-7-19/h2-4,6-13,16,23H,5,14-15H2,1H3,(H,25,26)
InChIKeyPFSAXMDDSAZCSJ-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.57
Rot. Bonds9

About 5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide

5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide (PubChem CID 109184521) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
PubChem CID109184521
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)nc1
InChIInChI=1S/C22H23N3O3/c1-27-15-5-14-23-18-10-13-21(24-16-18)22(26)25-17-8-11-20(12-9-17)28-19-6-3-2-4-7-19/h2-4,6-13,16,23H,5,14-15H2,1H3,(H,25,26)
InChIKeyPFSAXMDDSAZCSJ-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
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-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184158
5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
CID 109276347
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191420
N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981031
6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide
CID 109114229
5-(cyclopropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109180189
N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194935
N-(5-chloro-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184481
5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
CID 109277421
N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109184150
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide (CID 109184521) is 5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide is COCCCNc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)nc1.
What is the InChIKey of 5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide?
The InChIKey is PFSAXMDDSAZCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-15-5-14-23-18-10-13-21(24-16-18)22(26)25-17-8-11-20(12-9-17)28-19-6-3-2-4-7-19/h2-4,6-13,16,23H,5,14-15H2,1H3,(H,25,26).
What are the key properties of 5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide?
5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109184521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).