1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid

C16H18N4O2 — CID 56767522

IUPAC1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCc1cc(N2CCCC(C(=O)O)C2)nc(-c2cccnc2)n1
InChIInChI=1S/C16H18N4O2/c1-11-8-14(20-7-3-5-13(10-20)16(21)22)19-15(18-11)12-4-2-6-17-9-12/h2,4,6,8-9,13H,3,5,7,10H2,1H3,(H,21,22)
InChIKeyQTTRENIWNNRFIC-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.15
Rot. Bonds3

About 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid

1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 56767522) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID56767522
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCc1cc(N2CCCC(C(=O)O)C2)nc(-c2cccnc2)n1
InChIInChI=1S/C16H18N4O2/c1-11-8-14(20-7-3-5-13(10-20)16(21)22)19-15(18-11)12-4-2-6-17-9-12/h2,4,6,8-9,13H,3,5,7,10H2,1H3,(H,21,22)
InChIKeyQTTRENIWNNRFIC-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid (CID 56767522) is 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid is Cc1cc(N2CCCC(C(=O)O)C2)nc(-c2cccnc2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is QTTRENIWNNRFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-8-14(20-7-3-5-13(10-20)16(21)22)19-15(18-11)12-4-2-6-17-9-12/h2,4,6,8-9,13H,3,5,7,10H2,1H3,(H,21,22).
What are the key properties of 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 298.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 56767522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).