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

C19H25N5O2 — CID 139387271

IUPAC4-[3-(1H-imidazol-5-ylmethyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
SMILESCOC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(Cc1cnc[nH]1)C2
InChIInChI=1S/C19H25N5O2/c1-26-19(13-5-6-22-17(7-13)18(20)25)14-3-2-4-15(19)10-24(9-14)11-16-8-21-12-23-16/h5-8,12,14-15H,2-4,9-11H2,1H3,(H2,20,25)(H,21,23)
InChIKeyPKDLVSTWEFLSNG-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.68
Rot. Bonds5

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

4-[3-(1H-imidazol-5-ylmethyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide (PubChem CID 139387271) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[3-(1H-imidazol-5-ylmethyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(1H-imidazol-5-ylmethyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
PubChem CID139387271
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name4-[3-(1H-imidazol-5-ylmethyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
SMILESCOC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(Cc1cnc[nH]1)C2
InChIInChI=1S/C19H25N5O2/c1-26-19(13-5-6-22-17(7-13)18(20)25)14-3-2-4-15(19)10-24(9-14)11-16-8-21-12-23-16/h5-8,12,14-15H,2-4,9-11H2,1H3,(H2,20,25)(H,21,23)
InChIKeyPKDLVSTWEFLSNG-UHFFFAOYSA-N
XLogP1.68
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-imidazol-5-ylmethyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[3-(1H-imidazol-5-ylmethyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide (CID 139387271) is 4-[3-(1H-imidazol-5-ylmethyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-(1H-imidazol-5-ylmethyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-(1H-imidazol-5-ylmethyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide is COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(Cc1cnc[nH]1)C2.
What is the InChIKey of 4-[3-(1H-imidazol-5-ylmethyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
The InChIKey is PKDLVSTWEFLSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-26-19(13-5-6-22-17(7-13)18(20)25)14-3-2-4-15(19)10-24(9-14)11-16-8-21-12-23-16/h5-8,12,14-15H,2-4,9-11H2,1H3,(H2,20,25)(H,21,23).
What are the key properties of 4-[3-(1H-imidazol-5-ylmethyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
4-[3-(1H-imidazol-5-ylmethyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-imidazol-5-ylmethyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide is sourced from PubChem (CID 139387271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).