(4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone

C21H26N6O2 — CID 109095456

IUPAC(4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cccc(C(=O)N3CCN(c4ncccn4)CC3)n2)CC1
InChIInChI=1S/C21H26N6O2/c1-16-6-10-25(11-7-16)19(28)17-4-2-5-18(24-17)20(29)26-12-14-27(15-13-26)21-22-8-3-9-23-21/h2-5,8-9,16H,6-7,10-15H2,1H3
InChIKeyCEKSIDVUBLEROG-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.71
Rot. Bonds3

About (4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone

(4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone (PubChem CID 109095456) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone
PubChem CID109095456
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name(4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cccc(C(=O)N3CCN(c4ncccn4)CC3)n2)CC1
InChIInChI=1S/C21H26N6O2/c1-16-6-10-25(11-7-16)19(28)17-4-2-5-18(24-17)20(29)26-12-14-27(15-13-26)21-22-8-3-9-23-21/h2-5,8-9,16H,6-7,10-15H2,1H3
InChIKeyCEKSIDVUBLEROG-UHFFFAOYSA-N
XLogP1.71
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone with MolForge

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Related Compounds

[6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109096023
N,N-diethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109098942
[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109310659
(6-amino-2-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62239764
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109299007
[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109298958
pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855018
(4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109227055
[2-(dipropylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109310660
(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770499
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
N-(furan-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109097112

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone (CID 109095456) is (4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone is CC1CCN(C(=O)c2cccc(C(=O)N3CCN(c4ncccn4)CC3)n2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone?
The InChIKey is CEKSIDVUBLEROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-16-6-10-25(11-7-16)19(28)17-4-2-5-18(24-17)20(29)26-12-14-27(15-13-26)21-22-8-3-9-23-21/h2-5,8-9,16H,6-7,10-15H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone?
(4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone has a molecular weight of 394.48 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone is sourced from PubChem (CID 109095456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).