2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxylic acid

C15H16N4O2 — CID 110876208

IUPAC2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCCC2)nc1-c1ccncc1
InChIInChI=1S/C15H16N4O2/c20-14(21)12-10-17-15(19-8-2-1-3-9-19)18-13(12)11-4-6-16-7-5-11/h4-7,10H,1-3,8-9H2,(H,20,21)
InChIKeyCMIQVJIEDSJRKC-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.23
Rot. Bonds3

About 2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxylic acid

2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxylic acid (PubChem CID 110876208) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxylic acid
PubChem CID110876208
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCCC2)nc1-c1ccncc1
InChIInChI=1S/C15H16N4O2/c20-14(21)12-10-17-15(19-8-2-1-3-9-19)18-13(12)11-4-6-16-7-5-11/h4-7,10H,1-3,8-9H2,(H,20,21)
InChIKeyCMIQVJIEDSJRKC-UHFFFAOYSA-N
XLogP2.23
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxylic acid (CID 110876208) is 2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(N2CCCCC2)nc1-c1ccncc1.
What is the InChIKey of 2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxylic acid?
The InChIKey is CMIQVJIEDSJRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-14(21)12-10-17-15(19-8-2-1-3-9-19)18-13(12)11-4-6-16-7-5-11/h4-7,10H,1-3,8-9H2,(H,20,21).
What are the key properties of 2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxylic acid?
2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 110876208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).