4-[9-methoxy-3-[(1-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide

C20H27N5O2 — CID 139387535

IUPAC4-[9-methoxy-3-[(1-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
SMILESCOC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(Cc1cn(C)cn1)C2
InChIInChI=1S/C20H27N5O2/c1-24-11-17(23-13-24)12-25-9-15-4-3-5-16(10-25)20(15,27-2)14-6-7-22-18(8-14)19(21)26/h6-8,11,13,15-16H,3-5,9-10,12H2,1-2H3,(H2,21,26)
InChIKeyQLSZXPAPGIAVSS-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.69
Rot. Bonds5

About 4-[9-methoxy-3-[(1-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide

4-[9-methoxy-3-[(1-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide (PubChem CID 139387535) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[9-methoxy-3-[(1-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[9-methoxy-3-[(1-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
PubChem CID139387535
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name4-[9-methoxy-3-[(1-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
SMILESCOC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(Cc1cn(C)cn1)C2
InChIInChI=1S/C20H27N5O2/c1-24-11-17(23-13-24)12-25-9-15-4-3-5-16(10-25)20(15,27-2)14-6-7-22-18(8-14)19(21)26/h6-8,11,13,15-16H,3-5,9-10,12H2,1-2H3,(H2,21,26)
InChIKeyQLSZXPAPGIAVSS-UHFFFAOYSA-N
XLogP1.69
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[9-methoxy-3-[(1-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[9-methoxy-3-[(1-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide (CID 139387535) is 4-[9-methoxy-3-[(1-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[9-methoxy-3-[(1-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[9-methoxy-3-[(1-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide is COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(Cc1cn(C)cn1)C2.
What is the InChIKey of 4-[9-methoxy-3-[(1-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
The InChIKey is QLSZXPAPGIAVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-24-11-17(23-13-24)12-25-9-15-4-3-5-16(10-25)20(15,27-2)14-6-7-22-18(8-14)19(21)26/h6-8,11,13,15-16H,3-5,9-10,12H2,1-2H3,(H2,21,26).
What are the key properties of 4-[9-methoxy-3-[(1-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
4-[9-methoxy-3-[(1-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-methoxy-3-[(1-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide is sourced from PubChem (CID 139387535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).