N-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide

C15H16IN5O — CID 3737109

IUPACN-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc(I)c1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H16IN5O/c16-12-2-1-3-13(10-12)19-15(22)21-8-6-20(7-9-21)14-11-17-4-5-18-14/h1-5,10-11H,6-9H2,(H,19,22)
InChIKeyJGTRABKDSLOBSL-UHFFFAOYSA-N
MW409.23 g/mol
LogP2.44
Rot. Bonds2

About N-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide

N-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide (PubChem CID 3737109) has the molecular formula C15H16IN5O and a molecular weight of 409.23 g/mol. Its IUPAC name is N-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
PubChem CID3737109
Molecular FormulaC15H16IN5O
Molecular Weight409.23 g/mol
Exact Mass409.04
IUPAC NameN-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc(I)c1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H16IN5O/c16-12-2-1-3-13(10-12)19-15(22)21-8-6-20(7-9-21)14-11-17-4-5-18-14/h1-5,10-11H,6-9H2,(H,19,22)
InChIKeyJGTRABKDSLOBSL-UHFFFAOYSA-N
XLogP2.44
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 23605252
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide
CID 23740362
N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 5102783
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
4-(2,4-dimethylphenyl)-N-(3-iodophenyl)piperazine-1-carboxamide
CID 3768941
N-(1-methylindol-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 56823906
N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3347580
N-(3-methoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167873
N-(3-fluorophenyl)-3-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
CID 43065834
N-(2-piperidin-1-yl-4-pyridinyl)pyrrolidine-1-carboxamide
CID 155954671
1-[(3-iodophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55151371

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide (CID 3737109) is N-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide is O=C(Nc1cccc(I)c1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of N-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
The InChIKey is JGTRABKDSLOBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN5O/c16-12-2-1-3-13(10-12)19-15(22)21-8-6-20(7-9-21)14-11-17-4-5-18-14/h1-5,10-11H,6-9H2,(H,19,22).
What are the key properties of N-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
N-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide has a molecular weight of 409.23 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 3737109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).