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

C16H18N4O2 — CID 56767478

IUPAC1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCc1nc(-c2cccnc2)cc(N2CCCCC2C(=O)O)n1
InChIInChI=1S/C16H18N4O2/c1-11-18-13(12-5-4-7-17-10-12)9-15(19-11)20-8-3-2-6-14(20)16(21)22/h4-5,7,9-10,14H,2-3,6,8H2,1H3,(H,21,22)
InChIKeyJQAIYHYGAVKPDL-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.29
Rot. Bonds3

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

1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid (PubChem CID 56767478) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
PubChem CID56767478
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCc1nc(-c2cccnc2)cc(N2CCCCC2C(=O)O)n1
InChIInChI=1S/C16H18N4O2/c1-11-18-13(12-5-4-7-17-10-12)9-15(19-11)20-8-3-2-6-14(20)16(21)22/h4-5,7,9-10,14H,2-3,6,8H2,1H3,(H,21,22)
InChIKeyJQAIYHYGAVKPDL-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 56767481
1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 110277695
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one
CID 94075450
methyl (2S)-1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]pyrrolidine-2-carboxylate
CID 156866200
6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82170265
(2R)-1-(6-phenylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 122051768
1-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 56767853
4-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine
CID 136580212
1-(2-propan-2-yl-6-pyridin-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 56767469
1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid
CID 56767437

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid (CID 56767478) is 1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid is Cc1nc(-c2cccnc2)cc(N2CCCCC2C(=O)O)n1.
What is the InChIKey of 1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is JQAIYHYGAVKPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-18-13(12-5-4-7-17-10-12)9-15(19-11)20-8-3-2-6-14(20)16(21)22/h4-5,7,9-10,14H,2-3,6,8H2,1H3,(H,21,22).
What are the key properties of 1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 298.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 56767478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).