1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide

C10H13IN4O2 — CID 136971082

IUPAC1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H13IN4O2/c11-7-9(13-5-14-10(7)17)15-4-2-1-3-6(15)8(12)16/h5-6H,1-4H2,(H2,12,16)(H,13,14,17)
InChIKeyRBKLYLFYALFLBV-UHFFFAOYSA-N
MW348.14 g/mol
LogP0.22
Rot. Bonds2

About 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide

1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide (PubChem CID 136971082) 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-2-carboxamide.

Molecular Properties

Compound Name1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide
PubChem CID136971082
Molecular FormulaC10H13IN4O2
Molecular Weight348.14 g/mol
Exact Mass348.01
IUPAC Name1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H13IN4O2/c11-7-9(13-5-14-10(7)17)15-4-2-1-3-6(15)8(12)16/h5-6H,1-4H2,(H2,12,16)(H,13,14,17)
InChIKeyRBKLYLFYALFLBV-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
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

4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136805290
5-iodo-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805300
5-iodo-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805324
4-[(3R)-3-aminopiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136873265
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 136954300
2-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 136956221
4-[(1-ethylpiperidin-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956288
5-iodo-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956299
5-iodo-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956380
5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956537
4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956540
5-iodo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956637

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide?
The IUPAC name of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide (CID 136971082) is 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide is NC(=O)C1CCCCN1c1nc[nH]c(=O)c1I.
What is the InChIKey of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide?
The InChIKey is RBKLYLFYALFLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN4O2/c11-7-9(13-5-14-10(7)17)15-4-2-1-3-6(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-2-carboxamide?
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide has a molecular weight of 348.14 g/mol, XLogP of 0.22, 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-2-carboxamide is sourced from PubChem (CID 136971082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).