[6-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-pyridin-3-ylmethanone

C17H20N4O — CID 67739670

IUPAC[6-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-pyridin-3-ylmethanone
SMILESCC1(N)CCN(c2cccc(C(=O)c3cccnc3)n2)CC1
InChIInChI=1S/C17H20N4O/c1-17(18)7-10-21(11-8-17)15-6-2-5-14(20-15)16(22)13-4-3-9-19-12-13/h2-6,9,12H,7-8,10-11,18H2,1H3
InChIKeyIFTMIHXEDJJBSQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.03
Rot. Bonds3

About [6-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-pyridin-3-ylmethanone

[6-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-pyridin-3-ylmethanone (PubChem CID 67739670) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is [6-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[6-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-pyridin-3-ylmethanone
PubChem CID67739670
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name[6-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-pyridin-3-ylmethanone
SMILESCC1(N)CCN(c2cccc(C(=O)c3cccnc3)n2)CC1
InChIInChI=1S/C17H20N4O/c1-17(18)7-10-21(11-8-17)15-6-2-5-14(20-15)16(22)13-4-3-9-19-12-13/h2-6,9,12H,7-8,10-11,18H2,1H3
InChIKeyIFTMIHXEDJJBSQ-UHFFFAOYSA-N
XLogP2.03
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-pyridin-3-ylmethanone?
The IUPAC name of [6-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-pyridin-3-ylmethanone (CID 67739670) is [6-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [6-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-pyridin-3-ylmethanone?
The canonical SMILES for [6-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-pyridin-3-ylmethanone is CC1(N)CCN(c2cccc(C(=O)c3cccnc3)n2)CC1.
What is the InChIKey of [6-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-pyridin-3-ylmethanone?
The InChIKey is IFTMIHXEDJJBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-17(18)7-10-21(11-8-17)15-6-2-5-14(20-15)16(22)13-4-3-9-19-12-13/h2-6,9,12H,7-8,10-11,18H2,1H3.
What are the key properties of [6-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-pyridin-3-ylmethanone?
[6-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-pyridin-3-ylmethanone has a molecular weight of 296.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 67739670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).