1-(5-iodopyrimidin-2-yl)-N-methylpiperidine-4-carboxamide

C11H15IN4O — CID 104839991

IUPAC1-(5-iodopyrimidin-2-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ncc(I)cn2)CC1
InChIInChI=1S/C11H15IN4O/c1-13-10(17)8-2-4-16(5-3-8)11-14-6-9(12)7-15-11/h6-8H,2-5H2,1H3,(H,13,17)
InChIKeyASIZDTXGVGHJLU-UHFFFAOYSA-N
MW346.17 g/mol
LogP1.04
Rot. Bonds2

About 1-(5-iodopyrimidin-2-yl)-N-methylpiperidine-4-carboxamide

1-(5-iodopyrimidin-2-yl)-N-methylpiperidine-4-carboxamide (PubChem CID 104839991) has the molecular formula C11H15IN4O and a molecular weight of 346.17 g/mol. Its IUPAC name is 1-(5-iodopyrimidin-2-yl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-iodopyrimidin-2-yl)-N-methylpiperidine-4-carboxamide
PubChem CID104839991
Molecular FormulaC11H15IN4O
Molecular Weight346.17 g/mol
Exact Mass346.03
IUPAC Name1-(5-iodopyrimidin-2-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ncc(I)cn2)CC1
InChIInChI=1S/C11H15IN4O/c1-13-10(17)8-2-4-16(5-3-8)11-14-6-9(12)7-15-11/h6-8H,2-5H2,1H3,(H,13,17)
InChIKeyASIZDTXGVGHJLU-UHFFFAOYSA-N
XLogP1.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95839521
1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide
CID 171691467
5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 104843946
2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
CID 116648613
1-[2-(azepan-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 53146285
1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 80637486
1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 112698998
N-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80799087
(3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol
CID 104843548
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
5-chloro-2-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 114919341
1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 79076088

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodopyrimidin-2-yl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-iodopyrimidin-2-yl)-N-methylpiperidine-4-carboxamide (CID 104839991) is 1-(5-iodopyrimidin-2-yl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-iodopyrimidin-2-yl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-iodopyrimidin-2-yl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2ncc(I)cn2)CC1.
What is the InChIKey of 1-(5-iodopyrimidin-2-yl)-N-methylpiperidine-4-carboxamide?
The InChIKey is ASIZDTXGVGHJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN4O/c1-13-10(17)8-2-4-16(5-3-8)11-14-6-9(12)7-15-11/h6-8H,2-5H2,1H3,(H,13,17).
What are the key properties of 1-(5-iodopyrimidin-2-yl)-N-methylpiperidine-4-carboxamide?
1-(5-iodopyrimidin-2-yl)-N-methylpiperidine-4-carboxamide has a molecular weight of 346.17 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodopyrimidin-2-yl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 104839991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).