(4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone

C20H26N6O — CID 109227055

IUPAC(4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cncc(N3CCN(c4ncccn4)CC3)c2)CC1
InChIInChI=1S/C20H26N6O/c1-16-3-7-25(8-4-16)19(27)17-13-18(15-21-14-17)24-9-11-26(12-10-24)20-22-5-2-6-23-20/h2,5-6,13-16H,3-4,7-12H2,1H3
InChIKeyQCPLERSAMOTGSU-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.07
Rot. Bonds3

About (4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone

(4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone (PubChem CID 109227055) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
PubChem CID109227055
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name(4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cncc(N3CCN(c4ncccn4)CC3)c2)CC1
InChIInChI=1S/C20H26N6O/c1-16-3-7-25(8-4-16)19(27)17-13-18(15-21-14-17)24-9-11-26(12-10-24)20-22-5-2-6-23-20/h2,5-6,13-16H,3-4,7-12H2,1H3
InChIKeyQCPLERSAMOTGSU-UHFFFAOYSA-N
XLogP2.07
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone with MolForge

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Related Compounds

(4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230456
[5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226257
(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230061
(4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone
CID 109095456
[5-(2,3-dihydroindol-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109238689
(3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226519
N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109225181
[1-(5-chloro-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 165063551
[5-(4-chloroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109238703
(4-methylpiperidin-1-yl)-[5-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109227138
[5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109225372
N-cyclohexyl-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102999

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone (CID 109227055) is (4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone is CC1CCN(C(=O)c2cncc(N3CCN(c4ncccn4)CC3)c2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone?
The InChIKey is QCPLERSAMOTGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-16-3-7-25(8-4-16)19(27)17-13-18(15-21-14-17)24-9-11-26(12-10-24)20-22-5-2-6-23-20/h2,5-6,13-16H,3-4,7-12H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone?
(4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone has a molecular weight of 366.47 g/mol, XLogP of 2.07, 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)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 109227055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).