[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone

C18H22N4O2 — CID 56750665

IUPAC[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ncccc1C(=O)N1CCC(O)(c2ccc(C)cn2)CC1
InChIInChI=1S/C18H22N4O2/c1-13-5-6-15(21-12-13)18(24)7-10-22(11-8-18)17(23)14-4-3-9-20-16(14)19-2/h3-6,9,12,24H,7-8,10-11H2,1-2H3,(H,19,20)
InChIKeyRBFXLBYLSWGFCZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.95
Rot. Bonds3

About [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone (PubChem CID 56750665) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
PubChem CID56750665
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ncccc1C(=O)N1CCC(O)(c2ccc(C)cn2)CC1
InChIInChI=1S/C18H22N4O2/c1-13-5-6-15(21-12-13)18(24)7-10-22(11-8-18)17(23)14-4-3-9-20-16(14)19-2/h3-6,9,12,24H,7-8,10-11H2,1-2H3,(H,19,20)
InChIKeyRBFXLBYLSWGFCZ-UHFFFAOYSA-N
XLogP1.95
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone?
The IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone (CID 56750665) is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone?
The canonical SMILES for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone is CNc1ncccc1C(=O)N1CCC(O)(c2ccc(C)cn2)CC1.
What is the InChIKey of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone?
The InChIKey is RBFXLBYLSWGFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-5-6-15(21-12-13)18(24)7-10-22(11-8-18)17(23)14-4-3-9-20-16(14)19-2/h3-6,9,12,24H,7-8,10-11H2,1-2H3,(H,19,20).
What are the key properties of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone?
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone has a molecular weight of 326.40 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 56750665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).