2-N-butan-2-yl-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide

C18H21N3O2 — CID 109080208

IUPAC2-N-butan-2-yl-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1cc(C(=O)Nc2cccc(C)c2)ccn1
InChIInChI=1S/C18H21N3O2/c1-4-13(3)20-18(23)16-11-14(8-9-19-16)17(22)21-15-7-5-6-12(2)10-15/h5-11,13H,4H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyVSEQBVSCHHTNQI-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.17
Rot. Bonds5

About 2-N-butan-2-yl-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide

2-N-butan-2-yl-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109080208) 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-(3-methylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-butan-2-yl-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109080208
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-N-butan-2-yl-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1cc(C(=O)Nc2cccc(C)c2)ccn1
InChIInChI=1S/C18H21N3O2/c1-4-13(3)20-18(23)16-11-14(8-9-19-16)17(22)21-15-7-5-6-12(2)10-15/h5-11,13H,4H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyVSEQBVSCHHTNQI-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

4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide
CID 109080259
2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109080310
2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080207
2-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091133
4-N-(4-acetamidophenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091241
4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109080107
2-N-(3-fluorophenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091177
2-N-(3,4-difluorophenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091189
2-N-butan-2-yl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109080291
2-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091236
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411
2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-butan-2-yl-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide (CID 109080208) is 2-N-butan-2-yl-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-butan-2-yl-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-butan-2-yl-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide is CCC(C)NC(=O)c1cc(C(=O)Nc2cccc(C)c2)ccn1.
What is the InChIKey of 2-N-butan-2-yl-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is VSEQBVSCHHTNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-13(3)20-18(23)16-11-14(8-9-19-16)17(22)21-15-7-5-6-12(2)10-15/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-(3-methylphenyl)pyridine-2,4-dicarboxamide?
2-N-butan-2-yl-4-N-(3-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-(3-methylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109080208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).