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

C17H20N4O2 — CID 56767481

IUPAC1-(2-ethyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCCc1nc(-c2ccncc2)cc(N2CCCCC2C(=O)O)n1
InChIInChI=1S/C17H20N4O2/c1-2-15-19-13(12-6-8-18-9-7-12)11-16(20-15)21-10-4-3-5-14(21)17(22)23/h6-9,11,14H,2-5,10H2,1H3,(H,22,23)
InChIKeyOEKRWBZPCPJLJU-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.54
Rot. Bonds4

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

1-(2-ethyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-2-carboxylic acid (PubChem CID 56767481) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(2-ethyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
PubChem CID56767481
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-(2-ethyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCCc1nc(-c2ccncc2)cc(N2CCCCC2C(=O)O)n1
InChIInChI=1S/C17H20N4O2/c1-2-15-19-13(12-6-8-18-9-7-12)11-16(20-15)21-10-4-3-5-14(21)17(22)23/h6-9,11,14H,2-5,10H2,1H3,(H,22,23)
InChIKeyOEKRWBZPCPJLJU-UHFFFAOYSA-N
XLogP2.54
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid
CID 56767437
1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 56767478
(2R)-1-(6-phenylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 122051768
1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid
CID 64831026
1-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 56767853
1-(2-propan-2-yl-6-pyridin-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 56767469
1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80940164
(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 95928534
1-(4,5-diamino-6-ethyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 67401785
1-[6-ethyl-2-(2-fluorophenyl)pyrimidin-4-yl]piperidine-2-carboxylic acid
CID 56767423
2-[4-(2-ethyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 56768591
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2-ethyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-2-carboxylic acid (CID 56767481) is 1-(2-ethyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-ethyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-ethyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-2-carboxylic acid is CCc1nc(-c2ccncc2)cc(N2CCCCC2C(=O)O)n1.
What is the InChIKey of 1-(2-ethyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is OEKRWBZPCPJLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-15-19-13(12-6-8-18-9-7-12)11-16(20-15)21-10-4-3-5-14(21)17(22)23/h6-9,11,14H,2-5,10H2,1H3,(H,22,23).
What are the key properties of 1-(2-ethyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
1-(2-ethyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 56767481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).