5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide

C18H23N3O2 — CID 109224665

IUPAC5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
SMILESCCCCNc1cncc(C(=O)Nc2cc(C)ccc2OC)c1
InChIInChI=1S/C18H23N3O2/c1-4-5-8-20-15-10-14(11-19-12-15)18(22)21-16-9-13(2)6-7-17(16)23-3/h6-7,9-12,20H,4-5,8H2,1-3H3,(H,21,22)
InChIKeyDYFSWGOBOSPECS-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.86
Rot. Bonds7

About 5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide

5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide (PubChem CID 109224665) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
PubChem CID109224665
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
SMILESCCCCNc1cncc(C(=O)Nc2cc(C)ccc2OC)c1
InChIInChI=1S/C18H23N3O2/c1-4-5-8-20-15-10-14(11-19-12-15)18(22)21-16-9-13(2)6-7-17(16)23-3/h6-7,9-12,20H,4-5,8H2,1-3H3,(H,21,22)
InChIKeyDYFSWGOBOSPECS-UHFFFAOYSA-N
XLogP3.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.86
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

N-(2,5-dimethoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240183
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240172
N-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240144
N-(2-methoxy-5-methylphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236957
N-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228308
N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234541
5-(2-methoxy-5-methylanilino)-N-propylpyridine-3-carboxamide
CID 109222894
5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109224662
N-(2-methoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228300
N-(2,5-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239954
N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240171
5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109224645

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide (CID 109224665) is 5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide is CCCCNc1cncc(C(=O)Nc2cc(C)ccc2OC)c1.
What is the InChIKey of 5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide?
The InChIKey is DYFSWGOBOSPECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-5-8-20-15-10-14(11-19-12-15)18(22)21-16-9-13(2)6-7-17(16)23-3/h6-7,9-12,20H,4-5,8H2,1-3H3,(H,21,22).
What are the key properties of 5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide?
5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109224665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).