4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide

C20H27N5O2 — CID 139387529

IUPAC4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
SMILESCOC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(Cc1cnc(C)[nH]1)C2
InChIInChI=1S/C20H27N5O2/c1-13-23-9-17(24-13)12-25-10-15-4-3-5-16(11-25)20(15,27-2)14-6-7-22-18(8-14)19(21)26/h6-9,15-16H,3-5,10-12H2,1-2H3,(H2,21,26)(H,23,24)
InChIKeyVYFYYXRCKVXJKZ-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.99
Rot. Bonds5

About 4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide

4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide (PubChem CID 139387529) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
PubChem CID139387529
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
SMILESCOC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(Cc1cnc(C)[nH]1)C2
InChIInChI=1S/C20H27N5O2/c1-13-23-9-17(24-13)12-25-10-15-4-3-5-16(11-25)20(15,27-2)14-6-7-22-18(8-14)19(21)26/h6-9,15-16H,3-5,10-12H2,1-2H3,(H2,21,26)(H,23,24)
InChIKeyVYFYYXRCKVXJKZ-UHFFFAOYSA-N
XLogP1.99
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.99
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-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide (CID 139387529) is 4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide is COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(Cc1cnc(C)[nH]1)C2.
What is the InChIKey of 4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
The InChIKey is VYFYYXRCKVXJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-13-23-9-17(24-13)12-25-10-15-4-3-5-16(11-25)20(15,27-2)14-6-7-22-18(8-14)19(21)26/h6-9,15-16H,3-5,10-12H2,1-2H3,(H2,21,26)(H,23,24).
What are the key properties of 4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
4-[9-methoxy-3-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.99, 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-[(2-methyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide is sourced from PubChem (CID 139387529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).