5-N-(3-cyanophenyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide

C19H20N4O2 — CID 109107206

IUPAC5-N-(3-cyanophenyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
SMILESCC(C)CCNC(=O)c1cncc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C19H20N4O2/c1-13(2)6-7-22-18(24)15-9-16(12-21-11-15)19(25)23-17-5-3-4-14(8-17)10-20/h3-5,8-9,11-13H,6-7H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySTBSXCZYAYBHAF-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.98
Rot. Bonds6

About 5-N-(3-cyanophenyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide

5-N-(3-cyanophenyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide (PubChem CID 109107206) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-N-(3-cyanophenyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-cyanophenyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
PubChem CID109107206
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-N-(3-cyanophenyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
SMILESCC(C)CCNC(=O)c1cncc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C19H20N4O2/c1-13(2)6-7-22-18(24)15-9-16(12-21-11-15)19(25)23-17-5-3-4-14(8-17)10-20/h3-5,8-9,11-13H,6-7H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySTBSXCZYAYBHAF-UHFFFAOYSA-N
XLogP2.98
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225107
N'-(3-cyanophenyl)-N-(3-methylbutyl)propanediamide
CID 108951873
3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107140
3-N-(3-cyanophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108491
N-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061321
N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245862
5-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875
N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245786
3-N-(3-methylbutyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109107173
3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107123
3-N-(3-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
CID 109109078
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-cyanophenyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-cyanophenyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide (CID 109107206) is 5-N-(3-cyanophenyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-cyanophenyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-cyanophenyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide is CC(C)CCNC(=O)c1cncc(C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of 5-N-(3-cyanophenyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide?
The InChIKey is STBSXCZYAYBHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(2)6-7-22-18(24)15-9-16(12-21-11-15)19(25)23-17-5-3-4-14(8-17)10-20/h3-5,8-9,11-13H,6-7H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 5-N-(3-cyanophenyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide?
5-N-(3-cyanophenyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-cyanophenyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109107206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).