N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide

C17H21N5O — CID 23605252

IUPACN-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C17H21N5O/c1-13-9-14(2)11-15(10-13)20-17(23)22-7-5-21(6-8-22)16-12-18-3-4-19-16/h3-4,9-12H,5-8H2,1-2H3,(H,20,23)
InChIKeyUYZDUNGYXPHKHQ-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.45
Rot. Bonds2

About N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide

N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide (PubChem CID 23605252) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
PubChem CID23605252
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C17H21N5O/c1-13-9-14(2)11-15(10-13)20-17(23)22-7-5-21(6-8-22)16-12-18-3-4-19-16/h3-4,9-12H,5-8H2,1-2H3,(H,20,23)
InChIKeyUYZDUNGYXPHKHQ-UHFFFAOYSA-N
XLogP2.45
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide
CID 23740362
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
N-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 3737109
N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334290
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
N-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 47001350
N-(3,5-dimethylphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53010087
2-bromo-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 54875491
N-(1-methylindol-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 56823906
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
4-pyrazin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
CID 136576917
N-[(2R)-2-(dimethylamino)propyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 95133647

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide (CID 23605252) is N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide is Cc1cc(C)cc(NC(=O)N2CCN(c3cnccn3)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
The InChIKey is UYZDUNGYXPHKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13-9-14(2)11-15(10-13)20-17(23)22-7-5-21(6-8-22)16-12-18-3-4-19-16/h3-4,9-12H,5-8H2,1-2H3,(H,20,23).
What are the key properties of N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 23605252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).