N-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide

C19H25N3O3 — CID 113024001

IUPACN-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCCCCNc1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C19H25N3O3/c1-4-5-10-20-15-7-9-18(21-13-15)22-19(23)12-14-6-8-16(24-2)17(11-14)25-3/h6-9,11,13,20H,4-5,10,12H2,1-3H3,(H,21,22,23)
InChIKeyGMFHVUMWEBQEGZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.49
Rot. Bonds9

About N-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide

N-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 113024001) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID113024001
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCCCCNc1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C19H25N3O3/c1-4-5-10-20-15-7-9-18(21-13-15)22-19(23)12-14-6-8-16(24-2)17(11-14)25-3/h6-9,11,13,20H,4-5,10,12H2,1-3H3,(H,21,22,23)
InChIKeyGMFHVUMWEBQEGZ-UHFFFAOYSA-N
XLogP3.49
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.49
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-(3,4-dimethoxyphenyl)-N-[5-(3-methoxypropylamino)-2-pyridinyl]acetamide
CID 113025196
2-(3,4-dimethoxyphenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010361
N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide
CID 113023990
2-(3,4-dimethoxyphenyl)-N-[5-(2,5-dimethylanilino)-2-pyridinyl]acetamide
CID 113032044
2-(3,4-dimethoxyphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026619
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113036450
3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023443
2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide
CID 113032344
2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide
CID 113021300
N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113028985
2-(4-fluorophenyl)-N-[5-(propylamino)-2-pyridinyl]acetamide
CID 113023449
N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113037183

Frequently Asked Questions

What is the IUPAC name of N-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide (CID 113024001) is N-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide is CCCCNc1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)nc1.
What is the InChIKey of N-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is GMFHVUMWEBQEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-5-10-20-15-7-9-18(21-13-15)22-19(23)12-14-6-8-16(24-2)17(11-14)25-3/h6-9,11,13,20H,4-5,10,12H2,1-3H3,(H,21,22,23).
What are the key properties of N-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide?
N-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 343.43 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113024001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).