5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide

C20H25N3O2 — CID 109101242

IUPAC5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide
SMILESCCCNC(=O)c1cncc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H25N3O2/c1-5-10-22-18(24)14-11-15(13-21-12-14)19(25)23-17-8-6-16(7-9-17)20(2,3)4/h6-9,11-13H,5,10H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyZRAWDQFWMJIPFX-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.77
Rot. Bonds5

About 5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide

5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide (PubChem CID 109101242) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide
PubChem CID109101242
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide
SMILESCCCNC(=O)c1cncc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H25N3O2/c1-5-10-22-18(24)14-11-15(13-21-12-14)19(25)23-17-8-6-16(7-9-17)20(2,3)4/h6-9,11-13H,5,10H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyZRAWDQFWMJIPFX-UHFFFAOYSA-N
XLogP3.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide
CID 109222873
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide
CID 109105034
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
5-N-(4-bromophenyl)-3-N-butylpyridine-3,5-dicarboxamide
CID 109102031
3-N-(3-methylbutyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109107173
5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101290
5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242026
N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239930
3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109103680
N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229981
5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244078

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide (CID 109101242) is 5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide is CCCNC(=O)c1cncc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide?
The InChIKey is ZRAWDQFWMJIPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-5-10-22-18(24)14-11-15(13-21-12-14)19(25)23-17-8-6-16(7-9-17)20(2,3)4/h6-9,11-13H,5,10H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide?
5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).