2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide

C21H27N3O4 — CID 109088557

IUPAC2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccnc(C(=O)NCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C21H27N3O4/c1-4-5-6-10-23-20(25)16-9-11-22-17(13-16)21(26)24-14-15-7-8-18(27-2)19(12-15)28-3/h7-9,11-13H,4-6,10,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHXDATPSLWRVJQB-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.95
Rot. Bonds10

About 2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide

2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide (PubChem CID 109088557) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide
PubChem CID109088557
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccnc(C(=O)NCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C21H27N3O4/c1-4-5-6-10-23-20(25)16-9-11-22-17(13-16)21(26)24-14-15-7-8-18(27-2)19(12-15)28-3/h7-9,11-13H,4-6,10,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHXDATPSLWRVJQB-UHFFFAOYSA-N
XLogP2.95
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.95
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

4-N-[(4-methoxyphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109086884
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048248
1-N-butyl-3-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051107
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372
2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077649
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082174
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-pentylpyridine-2,4-dicarboxamide
CID 109086973
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109101964
2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079398
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082506

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide (CID 109088557) is 2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide is CCCCCNC(=O)c1ccnc(C(=O)NCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide?
The InChIKey is HXDATPSLWRVJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-4-5-6-10-23-20(25)16-9-11-22-17(13-16)21(26)24-14-15-7-8-18(27-2)19(12-15)28-3/h7-9,11-13H,4-6,10,14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide?
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide has a molecular weight of 385.46 g/mol, XLogP of 2.95, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).