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

C17H21N3O2 — CID 109224662

IUPAC5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCCCCNc1cncc(C(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C17H21N3O2/c1-3-4-9-19-15-10-13(11-18-12-15)17(21)20-14-5-7-16(22-2)8-6-14/h5-8,10-12,19H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyPNTLGEHYWDZYDC-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.55
Rot. Bonds7

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

5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 109224662) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID109224662
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCCCCNc1cncc(C(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C17H21N3O2/c1-3-4-9-19-15-10-13(11-18-12-15)17(21)20-14-5-7-16(22-2)8-6-14/h5-8,10-12,19H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyPNTLGEHYWDZYDC-UHFFFAOYSA-N
XLogP3.55
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.55
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-(pentylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 109240206
5-(butylamino)-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 109224692
N-[4-(butylamino)phenyl]-4-methoxybenzamide
CID 112980225
N-(2,5-dimethoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240183
N-(4-acetylphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236959
5-[2-(2-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109236376
2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109248366
N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109224372
N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240171
5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109228264
5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109224665
N-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239213

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide (CID 109224662) is 5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide is CCCCNc1cncc(C(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of 5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is PNTLGEHYWDZYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-4-9-19-15-10-13(11-18-12-15)17(21)20-14-5-7-16(22-2)8-6-14/h5-8,10-12,19H,3-4,9H2,1-2H3,(H,20,21).
What are the key properties of 5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109224662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).