3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide

C20H25N3O4 — CID 109101964

IUPAC3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)NCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H25N3O4/c1-4-5-8-22-19(24)15-10-16(13-21-12-15)20(25)23-11-14-6-7-17(26-2)18(9-14)27-3/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyISIQIFFTUKMTFO-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.56
Rot. Bonds9

About 3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide

3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide (PubChem CID 109101964) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide
PubChem CID109101964
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)NCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H25N3O4/c1-4-5-8-22-19(24)15-10-16(13-21-12-15)20(25)23-11-14-6-7-17(26-2)18(9-14)27-3/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyISIQIFFTUKMTFO-UHFFFAOYSA-N
XLogP2.56
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.56
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

1-N-butyl-3-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051107
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048248
N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63866016
N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109224477
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109237906
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088557
N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide
CID 108985865
N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109224372
5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109237922
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109237914
5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide
CID 42845920
N-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide
CID 60972248

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide (CID 109101964) is 3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide is CCCCNC(=O)c1cncc(C(=O)NCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide?
The InChIKey is ISIQIFFTUKMTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-4-5-8-22-19(24)15-10-16(13-21-12-15)20(25)23-11-14-6-7-17(26-2)18(9-14)27-3/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide?
3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).