2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid

C16H18N4O2 — CID 110876209

IUPAC2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid
SMILESCC1CCN(c2ncc(C(=O)O)c(-c3ccncc3)n2)CC1
InChIInChI=1S/C16H18N4O2/c1-11-4-8-20(9-5-11)16-18-10-13(15(21)22)14(19-16)12-2-6-17-7-3-12/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,21,22)
InChIKeyABVHKATUGUWDNG-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.47
Rot. Bonds3

About 2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid

2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid (PubChem CID 110876209) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid
PubChem CID110876209
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid
SMILESCC1CCN(c2ncc(C(=O)O)c(-c3ccncc3)n2)CC1
InChIInChI=1S/C16H18N4O2/c1-11-4-8-20(9-5-11)16-18-10-13(15(21)22)14(19-16)12-2-6-17-7-3-12/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,21,22)
InChIKeyABVHKATUGUWDNG-UHFFFAOYSA-N
XLogP2.47
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid (CID 110876209) is 2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid is CC1CCN(c2ncc(C(=O)O)c(-c3ccncc3)n2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid?
The InChIKey is ABVHKATUGUWDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-4-8-20(9-5-11)16-18-10-13(15(21)22)14(19-16)12-2-6-17-7-3-12/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,21,22).
What are the key properties of 2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid?
2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid has a molecular weight of 298.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 110876209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).