N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-(6-oxo-1H-pyrazin-2-yl)benzamide

C22H24N4O2 — CID 122559172

IUPACN-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-(6-oxo-1H-pyrazin-2-yl)benzamide
SMILESCC(C)(C)CC(NC(=O)c1cccc(-c2cncc(=O)[nH]2)c1)c1cccnc1
InChIInChI=1S/C22H24N4O2/c1-22(2,3)11-18(17-8-5-9-23-12-17)26-21(28)16-7-4-6-15(10-16)19-13-24-14-20(27)25-19/h4-10,12-14,18H,11H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyVBXNBHMEPCZHGQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.74
Rot. Bonds5

About N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-(6-oxo-1H-pyrazin-2-yl)benzamide

N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-(6-oxo-1H-pyrazin-2-yl)benzamide (PubChem CID 122559172) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-(6-oxo-1H-pyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-(6-oxo-1H-pyrazin-2-yl)benzamide
PubChem CID122559172
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-(6-oxo-1H-pyrazin-2-yl)benzamide
SMILESCC(C)(C)CC(NC(=O)c1cccc(-c2cncc(=O)[nH]2)c1)c1cccnc1
InChIInChI=1S/C22H24N4O2/c1-22(2,3)11-18(17-8-5-9-23-12-17)26-21(28)16-7-4-6-15(10-16)19-13-24-14-20(27)25-19/h4-10,12-14,18H,11H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyVBXNBHMEPCZHGQ-UHFFFAOYSA-N
XLogP3.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 122572746
6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide
CID 124844888
6-cyano-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 91840095
2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide
CID 91778729
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131902711
N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide
CID 21361607
3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid
CID 43523910
3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide
CID 91796729
N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 91776352
2-[3-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]phenyl]-N-methylacetamide
CID 126442574
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 91834910
4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide
CID 95721377

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-(6-oxo-1H-pyrazin-2-yl)benzamide?
The IUPAC name of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-(6-oxo-1H-pyrazin-2-yl)benzamide (CID 122559172) is N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-(6-oxo-1H-pyrazin-2-yl)benzamide.
What is the SMILES notation for N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-(6-oxo-1H-pyrazin-2-yl)benzamide?
The canonical SMILES for N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-(6-oxo-1H-pyrazin-2-yl)benzamide is CC(C)(C)CC(NC(=O)c1cccc(-c2cncc(=O)[nH]2)c1)c1cccnc1.
What is the InChIKey of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-(6-oxo-1H-pyrazin-2-yl)benzamide?
The InChIKey is VBXNBHMEPCZHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-22(2,3)11-18(17-8-5-9-23-12-17)26-21(28)16-7-4-6-15(10-16)19-13-24-14-20(27)25-19/h4-10,12-14,18H,11H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-(6-oxo-1H-pyrazin-2-yl)benzamide?
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-(6-oxo-1H-pyrazin-2-yl)benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-(6-oxo-1H-pyrazin-2-yl)benzamide is sourced from PubChem (CID 122559172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).