6-N-butyl-2-N-(2-cyanophenyl)-6-N-methylpyridine-2,6-dicarboxamide

C19H20N4O2 — CID 109099614

IUPAC6-N-butyl-2-N-(2-cyanophenyl)-6-N-methylpyridine-2,6-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)Nc2ccccc2C#N)n1
InChIInChI=1S/C19H20N4O2/c1-3-4-12-23(2)19(25)17-11-7-10-16(21-17)18(24)22-15-9-6-5-8-14(15)13-20/h5-11H,3-4,12H2,1-2H3,(H,22,24)
InChIKeyGVJWXEWAPRWWHR-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.08
Rot. Bonds6

About 6-N-butyl-2-N-(2-cyanophenyl)-6-N-methylpyridine-2,6-dicarboxamide

6-N-butyl-2-N-(2-cyanophenyl)-6-N-methylpyridine-2,6-dicarboxamide (PubChem CID 109099614) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-N-butyl-2-N-(2-cyanophenyl)-6-N-methylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-butyl-2-N-(2-cyanophenyl)-6-N-methylpyridine-2,6-dicarboxamide
PubChem CID109099614
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name6-N-butyl-2-N-(2-cyanophenyl)-6-N-methylpyridine-2,6-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)Nc2ccccc2C#N)n1
InChIInChI=1S/C19H20N4O2/c1-3-4-12-23(2)19(25)17-11-7-10-16(21-17)18(24)22-15-9-6-5-8-14(15)13-20/h5-11H,3-4,12H2,1-2H3,(H,22,24)
InChIKeyGVJWXEWAPRWWHR-UHFFFAOYSA-N
XLogP3.08
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-butyl-6-N-methyl-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109099533
N-(2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62239776
6-N-butyl-2-N-(2,6-dimethylphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099543
6-N-(2-cyanophenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095810
6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099555
6-N-(2-cyanophenyl)-2-N-(4-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100983
6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 103889509
6-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099568
2-N-(4-acetylphenyl)-6-N-(2-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109101022
2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide
CID 109099598
6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109099577
2-N-butyl-6-N,6-N-diethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098960

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-2-N-(2-cyanophenyl)-6-N-methylpyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-butyl-2-N-(2-cyanophenyl)-6-N-methylpyridine-2,6-dicarboxamide (CID 109099614) is 6-N-butyl-2-N-(2-cyanophenyl)-6-N-methylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-butyl-2-N-(2-cyanophenyl)-6-N-methylpyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-butyl-2-N-(2-cyanophenyl)-6-N-methylpyridine-2,6-dicarboxamide is CCCCN(C)C(=O)c1cccc(C(=O)Nc2ccccc2C#N)n1.
What is the InChIKey of 6-N-butyl-2-N-(2-cyanophenyl)-6-N-methylpyridine-2,6-dicarboxamide?
The InChIKey is GVJWXEWAPRWWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-4-12-23(2)19(25)17-11-7-10-16(21-17)18(24)22-15-9-6-5-8-14(15)13-20/h5-11H,3-4,12H2,1-2H3,(H,22,24).
What are the key properties of 6-N-butyl-2-N-(2-cyanophenyl)-6-N-methylpyridine-2,6-dicarboxamide?
6-N-butyl-2-N-(2-cyanophenyl)-6-N-methylpyridine-2,6-dicarboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-2-N-(2-cyanophenyl)-6-N-methylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109099614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).