2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide

C18H23N3O3 — CID 109165609

IUPAC2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
SMILESCCCCNc1cc(C(=O)Nc2ccc(OC)c(OC)c2)ccn1
InChIInChI=1S/C18H23N3O3/c1-4-5-9-19-17-11-13(8-10-20-17)18(22)21-14-6-7-15(23-2)16(12-14)24-3/h6-8,10-12H,4-5,9H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyZQUYNWAZQHJPIO-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.56
Rot. Bonds8

About 2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide

2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide (PubChem CID 109165609) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
PubChem CID109165609
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
SMILESCCCCNc1cc(C(=O)Nc2ccc(OC)c(OC)c2)ccn1
InChIInChI=1S/C18H23N3O3/c1-4-5-9-19-17-11-13(8-10-20-17)18(22)21-14-6-7-15(23-2)16(12-14)24-3/h6-8,10-12H,4-5,9H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyZQUYNWAZQHJPIO-UHFFFAOYSA-N
XLogP3.56
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.56
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

2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109165599
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide
CID 113038339
2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109170837
2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109178168
N-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide
CID 109167847
N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109173957
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 109173810
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167317
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178406
N-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172803
2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109168403
N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167267

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide (CID 109165609) is 2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide is CCCCNc1cc(C(=O)Nc2ccc(OC)c(OC)c2)ccn1.
What is the InChIKey of 2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide?
The InChIKey is ZQUYNWAZQHJPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-5-9-19-17-11-13(8-10-20-17)18(22)21-14-6-7-15(23-2)16(12-14)24-3/h6-8,10-12H,4-5,9H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide?
2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109165609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).