N-[[(2R)-1-ethylpiperidin-2-yl]methyl]pyrimidine-5-carboxamide

C13H20N4O — CID 164641163

IUPACN-[[(2R)-1-ethylpiperidin-2-yl]methyl]pyrimidine-5-carboxamide
SMILESCCN1CCCC[C@@H]1CNC(=O)c1cncnc1
InChIInChI=1S/C13H20N4O/c1-2-17-6-4-3-5-12(17)9-16-13(18)11-7-14-10-15-8-11/h7-8,10,12H,2-6,9H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyXXFYNFNKLUIMOZ-GFCCVEGCSA-N
MW248.33 g/mol
LogP1.08
Rot. Bonds4

About N-[[(2R)-1-ethylpiperidin-2-yl]methyl]pyrimidine-5-carboxamide

N-[[(2R)-1-ethylpiperidin-2-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 164641163) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpiperidin-2-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpiperidin-2-yl]methyl]pyrimidine-5-carboxamide
PubChem CID164641163
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[[(2R)-1-ethylpiperidin-2-yl]methyl]pyrimidine-5-carboxamide
SMILESCCN1CCCC[C@@H]1CNC(=O)c1cncnc1
InChIInChI=1S/C13H20N4O/c1-2-17-6-4-3-5-12(17)9-16-13(18)11-7-14-10-15-8-11/h7-8,10,12H,2-6,9H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyXXFYNFNKLUIMOZ-GFCCVEGCSA-N
XLogP1.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpiperidin-2-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[[(2R)-1-ethylpiperidin-2-yl]methyl]pyrimidine-5-carboxamide (CID 164641163) is N-[[(2R)-1-ethylpiperidin-2-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpiperidin-2-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[[(2R)-1-ethylpiperidin-2-yl]methyl]pyrimidine-5-carboxamide is CCN1CCCC[C@@H]1CNC(=O)c1cncnc1.
What is the InChIKey of N-[[(2R)-1-ethylpiperidin-2-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is XXFYNFNKLUIMOZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-17-6-4-3-5-12(17)9-16-13(18)11-7-14-10-15-8-11/h7-8,10,12H,2-6,9H2,1H3,(H,16,18)/t12-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpiperidin-2-yl]methyl]pyrimidine-5-carboxamide?
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpiperidin-2-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 164641163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).