2-iodo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide

C19H24IN5O — CID 122326666

IUPAC2-iodo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
SMILESCc1nc(NCCNC(=O)c2ccccc2I)cc(N2CCCCC2)n1
InChIInChI=1S/C19H24IN5O/c1-14-23-17(13-18(24-14)25-11-5-2-6-12-25)21-9-10-22-19(26)15-7-3-4-8-16(15)20/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,22,26)(H,21,23,24)
InChIKeyHNTKYVAMQYACNQ-UHFFFAOYSA-N
MW465.34 g/mol
LogP3.22
Rot. Bonds6

About 2-iodo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide

2-iodo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide (PubChem CID 122326666) has the molecular formula C19H24IN5O and a molecular weight of 465.34 g/mol. Its IUPAC name is 2-iodo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
PubChem CID122326666
Molecular FormulaC19H24IN5O
Molecular Weight465.34 g/mol
Exact Mass465.10
IUPAC Name2-iodo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
SMILESCc1nc(NCCNC(=O)c2ccccc2I)cc(N2CCCCC2)n1
InChIInChI=1S/C19H24IN5O/c1-14-23-17(13-18(24-14)25-11-5-2-6-12-25)21-9-10-22-19(26)15-7-3-4-8-16(15)20/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,22,26)(H,21,23,24)
InChIKeyHNTKYVAMQYACNQ-UHFFFAOYSA-N
XLogP3.22
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-iodobenzamide
CID 121074596
1-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-phenylpyrazole-5-carboxamide
CID 122293843
2,5-dimethyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]furan-3-carboxamide
CID 122293871
3-bromo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122326664
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide
CID 50945106
4-chloro-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56698960
1-(2-methylphenyl)-3-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122326346
3-fluoro-4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122326507
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 122326277
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide
CID 122326280
3-(dimethylamino)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122326481
4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 122326307

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide (CID 122326666) is 2-iodo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide is Cc1nc(NCCNC(=O)c2ccccc2I)cc(N2CCCCC2)n1.
What is the InChIKey of 2-iodo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The InChIKey is HNTKYVAMQYACNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24IN5O/c1-14-23-17(13-18(24-14)25-11-5-2-6-12-25)21-9-10-22-19(26)15-7-3-4-8-16(15)20/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,22,26)(H,21,23,24).
What are the key properties of 2-iodo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide?
2-iodo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide has a molecular weight of 465.34 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 122326666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).