6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid

C16H18N4O2 — CID 82170265

IUPAC6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
SMILESCC1CCCCN1c1cc(C(=O)O)nc(-c2cccnc2)n1
InChIInChI=1S/C16H18N4O2/c1-11-5-2-3-8-20(11)14-9-13(16(21)22)18-15(19-14)12-6-4-7-17-10-12/h4,6-7,9-11H,2-3,5,8H2,1H3,(H,21,22)
InChIKeyNQKYIKUJDLFEEM-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.62
Rot. Bonds3

About 6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid

6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid (PubChem CID 82170265) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
PubChem CID82170265
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
SMILESCC1CCCCN1c1cc(C(=O)O)nc(-c2cccnc2)n1
InChIInChI=1S/C16H18N4O2/c1-11-5-2-3-8-20(11)14-9-13(16(21)22)18-15(19-14)12-6-4-7-17-10-12/h4,6-7,9-11H,2-3,5,8H2,1H3,(H,21,22)
InChIKeyNQKYIKUJDLFEEM-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82170284
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 56767478
7-[(2R)-2-methylpiperidin-1-yl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95060087
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid
CID 129353783
tert-butyl N-[2-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 133395581
6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82169826
methyl (2S)-1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]pyrrolidine-2-carboxylate
CID 156866200
2-methyl-1-[3-methyl-4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 133486542
[6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852964
(2-methylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 22427477

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid (CID 82170265) is 6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid is CC1CCCCN1c1cc(C(=O)O)nc(-c2cccnc2)n1.
What is the InChIKey of 6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid?
The InChIKey is NQKYIKUJDLFEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-5-2-3-8-20(11)14-9-13(16(21)22)18-15(19-14)12-6-4-7-17-10-12/h4,6-7,9-11H,2-3,5,8H2,1H3,(H,21,22).
What are the key properties of 6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid?
6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid has a molecular weight of 298.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 82170265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).