4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide

C16H17IN4O — CID 90544651

IUPAC4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1cc(N2CCCCC2)ncn1)c1ccc(I)cc1
InChIInChI=1S/C16H17IN4O/c17-13-6-4-12(5-7-13)16(22)20-14-10-15(19-11-18-14)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,18,19,20,22)
InChIKeyJLNRRFGWFYWNLH-UHFFFAOYSA-N
MW408.24 g/mol
LogP3.32
Rot. Bonds3

About 4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide

4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide (PubChem CID 90544651) has the molecular formula C16H17IN4O and a molecular weight of 408.24 g/mol. Its IUPAC name is 4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
PubChem CID90544651
Molecular FormulaC16H17IN4O
Molecular Weight408.24 g/mol
Exact Mass408.04
IUPAC Name4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1cc(N2CCCCC2)ncn1)c1ccc(I)cc1
InChIInChI=1S/C16H17IN4O/c17-13-6-4-12(5-7-13)16(22)20-14-10-15(19-11-18-14)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,18,19,20,22)
InChIKeyJLNRRFGWFYWNLH-UHFFFAOYSA-N
XLogP3.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 53.32
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-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide
CID 90544462
N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide
CID 90545034
N-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 90544561
3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544619
N-(6-piperidin-1-ylpyrimidin-4-yl)pyrimidine-2-carboxamide
CID 90544711
N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 90544511
3-nitro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544457
4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122328145
N-(6-piperidin-1-ylpyrimidin-4-yl)cyclopentanecarboxamide
CID 90544433
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545984
2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544473
N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098855

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
The IUPAC name of 4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide (CID 90544651) is 4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for 4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for 4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide is O=C(Nc1cc(N2CCCCC2)ncn1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
The InChIKey is JLNRRFGWFYWNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN4O/c17-13-6-4-12(5-7-13)16(22)20-14-10-15(19-11-18-14)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,18,19,20,22).
What are the key properties of 4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide has a molecular weight of 408.24 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 90544651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).