2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide

C18H21N3O2 — CID 109080207

IUPAC2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1cc(C(=O)Nc2ccccc2C)ccn1
InChIInChI=1S/C18H21N3O2/c1-4-13(3)20-18(23)16-11-14(9-10-19-16)17(22)21-15-8-6-5-7-12(15)2/h5-11,13H,4H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyBAMKFHUVJGDJMD-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.17
Rot. Bonds5

About 2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide

2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109080207) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109080207
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1cc(C(=O)Nc2ccccc2C)ccn1
InChIInChI=1S/C18H21N3O2/c1-4-13(3)20-18(23)16-11-14(9-10-19-16)17(22)21-15-8-6-5-7-12(15)2/h5-11,13H,4H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyBAMKFHUVJGDJMD-UHFFFAOYSA-N
XLogP3.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051512
4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080050
2-N-butan-2-yl-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080208
4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide
CID 109080259
4-N-(2-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109090998
2-N-(2-cyanophenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091043
2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109080310
4-N-(2-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091026
N-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109340845
methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109091033
2-N-[3-(dimethylamino)propyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109084055
2-N,4-N-bis(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092181

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide (CID 109080207) is 2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide is CCC(C)NC(=O)c1cc(C(=O)Nc2ccccc2C)ccn1.
What is the InChIKey of 2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is BAMKFHUVJGDJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-13(3)20-18(23)16-11-14(9-10-19-16)17(22)21-15-8-6-5-7-12(15)2/h5-11,13H,4H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide?
2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109080207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).