5-(butylamino)-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide

C23H25N3O2 — CID 109224692

IUPAC5-(butylamino)-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
SMILESCCCCNc1cncc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C23H25N3O2/c1-2-3-13-25-21-14-19(15-24-16-21)23(27)26-20-9-11-22(12-10-20)28-17-18-7-5-4-6-8-18/h4-12,14-16,25H,2-3,13,17H2,1H3,(H,26,27)
InChIKeyVMHWNPODORRCKT-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.12
Rot. Bonds9

About 5-(butylamino)-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide

5-(butylamino)-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide (PubChem CID 109224692) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-(butylamino)-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
PubChem CID109224692
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name5-(butylamino)-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
SMILESCCCCNc1cncc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C23H25N3O2/c1-2-3-13-25-21-14-19(15-24-16-21)23(27)26-20-9-11-22(12-10-20)28-17-18-7-5-4-6-8-18/h4-12,14-16,25H,2-3,13,17H2,1H3,(H,26,27)
InChIKeyVMHWNPODORRCKT-UHFFFAOYSA-N
XLogP5.12
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 ≤ 55.12
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-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 109229412
5-(pentylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 109240206
5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101290
5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109224662
methyl 4-[[5-(3-phenylpropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109239144
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725
N-(4-phenylmethoxyphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165135
5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109224645
N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
CID 112988913
N-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
CID 109235964
2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide
CID 109263041
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(butylamino)-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide (CID 109224692) is 5-(butylamino)-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(butylamino)-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(butylamino)-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide is CCCCNc1cncc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 5-(butylamino)-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is VMHWNPODORRCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-3-13-25-21-14-19(15-24-16-21)23(27)26-20-9-11-22(12-10-20)28-17-18-7-5-4-6-8-18/h4-12,14-16,25H,2-3,13,17H2,1H3,(H,26,27).
What are the key properties of 5-(butylamino)-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide?
5-(butylamino)-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 5.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109224692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).