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

C11H15IN4O2 — CID 136990127

IUPAC1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1nc[nH]c(=O)c1I
InChIInChI=1S/C11H15IN4O2/c1-13-10(17)7-4-2-3-5-16(7)9-8(12)11(18)15-6-14-9/h6-7H,2-5H2,1H3,(H,13,17)(H,14,15,18)
InChIKeyGKZYRWGNFLYBIX-UHFFFAOYSA-N
MW362.17 g/mol
LogP0.48
Rot. Bonds2

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

1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide (PubChem CID 136990127) has the molecular formula C11H15IN4O2 and a molecular weight of 362.17 g/mol. Its IUPAC name is 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
PubChem CID136990127
Molecular FormulaC11H15IN4O2
Molecular Weight362.17 g/mol
Exact Mass362.02
IUPAC Name1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1nc[nH]c(=O)c1I
InChIInChI=1S/C11H15IN4O2/c1-13-10(17)7-4-2-3-5-16(7)9-8(12)11(18)15-6-14-9/h6-7H,2-5H2,1H3,(H,13,17)(H,14,15,18)
InChIKeyGKZYRWGNFLYBIX-UHFFFAOYSA-N
XLogP0.48
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 50.48
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

N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
CID 136713574
5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778296
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136805290
5-amino-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805296
5-iodo-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805300
5-amino-4-[ethyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805305
5-amino-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805312
5-amino-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805320
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
5-iodo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one
CID 136955965

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide (CID 136990127) is 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1nc[nH]c(=O)c1I.
What is the InChIKey of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
The InChIKey is GKZYRWGNFLYBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN4O2/c1-13-10(17)7-4-2-3-5-16(7)9-8(12)11(18)15-6-14-9/h6-7H,2-5H2,1H3,(H,13,17)(H,14,15,18).
What are the key properties of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide has a molecular weight of 362.17 g/mol, XLogP of 0.48, 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)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 136990127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).