4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide

C11H16N4O — CID 104859349

IUPAC4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cncnc2)CC1
InChIInChI=1S/C11H16N4O/c1-9-2-4-15(5-3-9)11(16)14-10-6-12-8-13-7-10/h6-9H,2-5H2,1H3,(H,14,16)
InChIKeyHMGYPQQSWUTCQD-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.74
Rot. Bonds1

About 4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide

4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide (PubChem CID 104859349) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide
PubChem CID104859349
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cncnc2)CC1
InChIInChI=1S/C11H16N4O/c1-9-2-4-15(5-3-9)11(16)14-10-6-12-8-13-7-10/h6-9H,2-5H2,1H3,(H,14,16)
InChIKeyHMGYPQQSWUTCQD-UHFFFAOYSA-N
XLogP1.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide (CID 104859349) is 4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2cncnc2)CC1.
What is the InChIKey of 4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide?
The InChIKey is HMGYPQQSWUTCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-9-2-4-15(5-3-9)11(16)14-10-6-12-8-13-7-10/h6-9H,2-5H2,1H3,(H,14,16).
What are the key properties of 4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide?
4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide is sourced from PubChem (CID 104859349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).