2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C11H16N4O — CID 175877318

IUPAC2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCCCN1c1nccc(C(N)=O)n1
InChIInChI=1S/C11H16N4O/c1-8-4-2-3-7-15(8)11-13-6-5-9(14-11)10(12)16/h5-6,8H,2-4,7H2,1H3,(H2,12,16)
InChIKeyKDMLYIMOUVDIQK-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.95
Rot. Bonds2

About 2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide

2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 175877318) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID175877318
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCCCN1c1nccc(C(N)=O)n1
InChIInChI=1S/C11H16N4O/c1-8-4-2-3-7-15(8)11-13-6-5-9(14-11)10(12)16/h5-6,8H,2-4,7H2,1H3,(H2,12,16)
InChIKeyKDMLYIMOUVDIQK-UHFFFAOYSA-N
XLogP0.95
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 175877318) is 2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide is CC1CCCCN1c1nccc(C(N)=O)n1.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is KDMLYIMOUVDIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-4-2-3-7-15(8)11-13-6-5-9(14-11)10(12)16/h5-6,8H,2-4,7H2,1H3,(H2,12,16).
What are the key properties of 2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 175877318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).