4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide

C21H30N4O3 — CID 155295648

IUPAC4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
SMILESCOC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(CC1CCCC(=O)N1)C2
InChIInChI=1S/C21H30N4O3/c1-28-21(14-8-9-23-18(10-14)20(22)27)15-4-2-5-16(21)12-25(11-15)13-17-6-3-7-19(26)24-17/h8-10,15-17H,2-7,11-13H2,1H3,(H2,22,27)(H,24,26)
InChIKeyOCYWOHGYIUBYPL-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.42
Rot. Bonds5

About 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide

4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide (PubChem CID 155295648) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
PubChem CID155295648
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
SMILESCOC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(CC1CCCC(=O)N1)C2
InChIInChI=1S/C21H30N4O3/c1-28-21(14-8-9-23-18(10-14)20(22)27)15-4-2-5-16(21)12-25(11-15)13-17-6-3-7-19(26)24-17/h8-10,15-17H,2-7,11-13H2,1H3,(H2,22,27)(H,24,26)
InChIKeyOCYWOHGYIUBYPL-UHFFFAOYSA-N
XLogP1.42
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide (CID 155295648) is 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide is COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(CC1CCCC(=O)N1)C2.
What is the InChIKey of 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
The InChIKey is OCYWOHGYIUBYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-28-21(14-8-9-23-18(10-14)20(22)27)15-4-2-5-16(21)12-25(11-15)13-17-6-3-7-19(26)24-17/h8-10,15-17H,2-7,11-13H2,1H3,(H2,22,27)(H,24,26).
What are the key properties of 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155295648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).