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

C16H18N4O2 — CID 56767853

IUPAC1-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCc1nc(-c2ccncc2)cc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C16H18N4O2/c1-11-18-14(12-2-6-17-7-3-12)10-15(19-11)20-8-4-13(5-9-20)16(21)22/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,21,22)
InChIKeyPAWBXWCEVINCMG-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.15
Rot. Bonds3

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

1-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 56767853) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID56767853
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCc1nc(-c2ccncc2)cc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C16H18N4O2/c1-11-18-14(12-2-6-17-7-3-12)10-15(19-11)20-8-4-13(5-9-20)16(21)22/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,21,22)
InChIKeyPAWBXWCEVINCMG-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

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Related Compounds

1-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194114
1-(2-methyl-6-phenylpyrimidin-4-yl)azepane
CID 16876766
1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 56767478
2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 108736910
1-[6-(dipropylamino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193597
1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193605
1-[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 99975814
N-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
CID 108782198
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 102549339
1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193622
7-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 166217437
1-[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193628

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylic acid (CID 56767853) is 1-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylic acid is Cc1nc(-c2ccncc2)cc(N2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 1-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is PAWBXWCEVINCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-18-14(12-2-6-17-7-3-12)10-15(19-11)20-8-4-13(5-9-20)16(21)22/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,21,22).
What are the key properties of 1-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylic acid?
1-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-4-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-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56767853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).