1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide

C10H13IN4O2 — CID 136993952

IUPAC1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C10H13IN4O2/c11-7-9(13-5-14-10(7)17)15-3-1-2-6(4-15)8(12)16/h5-6H,1-4H2,(H2,12,16)(H,13,14,17)
InChIKeyAMFZLGUBSXJQHB-UHFFFAOYSA-N
MW348.14 g/mol
LogP0.08
Rot. Bonds2

About 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide

1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 136993952) has the molecular formula C10H13IN4O2 and a molecular weight of 348.14 g/mol. Its IUPAC name is 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID136993952
Molecular FormulaC10H13IN4O2
Molecular Weight348.14 g/mol
Exact Mass348.01
IUPAC Name1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C10H13IN4O2/c11-7-9(13-5-14-10(7)17)15-3-1-2-6(4-15)8(12)16/h5-6H,1-4H2,(H2,12,16)(H,13,14,17)
InChIKeyAMFZLGUBSXJQHB-UHFFFAOYSA-N
XLogP0.08
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687959
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687972
N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136687975
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136689238
N-[[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792775
5-iodo-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805341
4-[ethyl(piperidin-3-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136805349
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136805359
5-iodo-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805369
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 136954314
5-iodo-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one
CID 136956248
5-iodo-4-[(1-methylpiperidin-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136956376

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide (CID 136993952) is 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide is NC(=O)C1CCCN(c2nc[nH]c(=O)c2I)C1.
What is the InChIKey of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is AMFZLGUBSXJQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN4O2/c11-7-9(13-5-14-10(7)17)15-3-1-2-6(4-15)8(12)16/h5-6H,1-4H2,(H2,12,16)(H,13,14,17).
What are the key properties of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 348.14 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 136993952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).