3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide

C20H25N3O2 — CID 109107334

IUPAC3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
SMILESCCCCN(C)C(=O)c1cncc(C(=O)N(CC)c2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c1-4-6-12-22(3)19(24)16-13-17(15-21-14-16)20(25)23(5-2)18-10-8-7-9-11-18/h7-11,13-15H,4-6,12H2,1-3H3
InChIKeyUVXLPQYKZSHNIX-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.62
Rot. Bonds7

About 3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide

3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide (PubChem CID 109107334) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
PubChem CID109107334
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
SMILESCCCCN(C)C(=O)c1cncc(C(=O)N(CC)c2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c1-4-6-12-22(3)19(24)16-13-17(15-21-14-16)20(25)23(5-2)18-10-8-7-9-11-18/h7-11,13-15H,4-6,12H2,1-3H3
InChIKeyUVXLPQYKZSHNIX-UHFFFAOYSA-N
XLogP3.62
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109056371
1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048818
5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 109234838
5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109240320
N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide
CID 64586177
N-ethyl-5-(N-ethylanilino)-N-phenylpyridine-3-carboxamide
CID 109243544
2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109264001
3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055548
5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109231838
5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109107345
5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide
CID 109105659
5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide
CID 109105299

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide (CID 109107334) is 3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide is CCCCN(C)C(=O)c1cncc(C(=O)N(CC)c2ccccc2)c1.
What is the InChIKey of 3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide?
The InChIKey is UVXLPQYKZSHNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-6-12-22(3)19(24)16-13-17(15-21-14-16)20(25)23(5-2)18-10-8-7-9-11-18/h7-11,13-15H,4-6,12H2,1-3H3.
What are the key properties of 3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide?
3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109107334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).