5-(pentylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide

C23H25N3O2 — CID 109240206

IUPAC5-(pentylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide
SMILESCCCCCNc1cncc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C23H25N3O2/c1-2-3-7-14-25-20-15-18(16-24-17-20)23(27)26-19-10-12-22(13-11-19)28-21-8-5-4-6-9-21/h4-6,8-13,15-17,25H,2-3,7,14H2,1H3,(H,26,27)
InChIKeyQDUOTWDXZVJGJC-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.73
Rot. Bonds9

About 5-(pentylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide

5-(pentylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide (PubChem CID 109240206) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-(pentylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(pentylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide
PubChem CID109240206
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name5-(pentylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide
SMILESCCCCCNc1cncc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C23H25N3O2/c1-2-3-7-14-25-20-15-18(16-24-17-20)23(27)26-19-10-12-22(13-11-19)28-21-8-5-4-6-9-21/h4-6,8-13,15-17,25H,2-3,7,14H2,1H3,(H,26,27)
InChIKeyQDUOTWDXZVJGJC-UHFFFAOYSA-N
XLogP5.73
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(butylamino)-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 109224692
5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109224662
N-(2,5-dimethoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240183
N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240171
5-hydroxy-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862644
6-(pentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109354484
methyl 4-[[5-(3-phenylpropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109239144
5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109224645
N-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240144
N-(4-pentoxyphenyl)-4-phenoxybenzamide
CID 5048433
N-hexyl-4-phenoxyaniline
CID 28876890
N-heptyl-4-phenoxyaniline
CID 43129191

Frequently Asked Questions

What is the IUPAC name of 5-(pentylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(pentylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide (CID 109240206) is 5-(pentylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(pentylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(pentylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide is CCCCCNc1cncc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 5-(pentylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide?
The InChIKey is QDUOTWDXZVJGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-3-7-14-25-20-15-18(16-24-17-20)23(27)26-19-10-12-22(13-11-19)28-21-8-5-4-6-9-21/h4-6,8-13,15-17,25H,2-3,7,14H2,1H3,(H,26,27).
What are the key properties of 5-(pentylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide?
5-(pentylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 5.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pentylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109240206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).