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

C16H18N4O2 — CID 56767515

IUPAC1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCc1cc(N2CCCC(C(=O)O)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C16H18N4O2/c1-11-9-14(20-8-2-3-13(10-20)16(21)22)19-15(18-11)12-4-6-17-7-5-12/h4-7,9,13H,2-3,8,10H2,1H3,(H,21,22)
InChIKeyCETPWSOAOIMKRF-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.15
Rot. Bonds3

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

1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 56767515) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID56767515
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCc1cc(N2CCCC(C(=O)O)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C16H18N4O2/c1-11-9-14(20-8-2-3-13(10-20)16(21)22)19-15(18-11)12-4-6-17-7-5-12/h4-7,9,13H,2-3,8,10H2,1H3,(H,21,22)
InChIKeyCETPWSOAOIMKRF-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-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
(3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 48931330
3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052385
1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 71564056
1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 122051160
1-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 53214047
1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 56767542
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846335
N-(5-methyl-2-pyridinyl)-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 133318998
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 48931738
(2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 52511508

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid (CID 56767515) is 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid is Cc1cc(N2CCCC(C(=O)O)C2)nc(-c2ccncc2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is CETPWSOAOIMKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-9-14(20-8-2-3-13(10-20)16(21)22)19-15(18-11)12-4-6-17-7-5-12/h4-7,9,13H,2-3,8,10H2,1H3,(H,21,22).
What are the key properties of 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
1-(6-methyl-2-pyridin-4-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-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 56767515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).