3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide

C17H19IN4O — CID 122353315

IUPAC3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1ccnc(N2CCCCC2)n1)c1cccc(I)c1
InChIInChI=1S/C17H19IN4O/c18-14-6-4-5-13(11-14)16(23)20-12-15-7-8-19-17(21-15)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10,12H2,(H,20,23)
InChIKeyXCIFAIKSSZHSGU-UHFFFAOYSA-N
MW422.27 g/mol
LogP3.00
Rot. Bonds4

About 3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide

3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide (PubChem CID 122353315) has the molecular formula C17H19IN4O and a molecular weight of 422.27 g/mol. Its IUPAC name is 3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
PubChem CID122353315
Molecular FormulaC17H19IN4O
Molecular Weight422.27 g/mol
Exact Mass422.06
IUPAC Name3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1ccnc(N2CCCCC2)n1)c1cccc(I)c1
InChIInChI=1S/C17H19IN4O/c18-14-6-4-5-13(11-14)16(23)20-12-15-7-8-19-17(21-15)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10,12H2,(H,20,23)
InChIKeyXCIFAIKSSZHSGU-UHFFFAOYSA-N
XLogP3.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967105
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
3,5-dinitro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352195
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 91967117
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 122353040
2-naphthalen-1-yl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353105
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-iodobenzamide
CID 122354488
2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 72718326
1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122353062
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122351951
2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353165
5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 122352001

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide (CID 122353315) is 3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide is O=C(NCc1ccnc(N2CCCCC2)n1)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is XCIFAIKSSZHSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN4O/c18-14-6-4-5-13(11-14)16(23)20-12-15-7-8-19-17(21-15)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10,12H2,(H,20,23).
What are the key properties of 3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 422.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 122353315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).