(1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C19H22N4O2 — CID 129416273

IUPAC(1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCc1cccnc1)N1[C@H]2CC[C@H]1CC(Oc1ccncc1)C2
InChIInChI=1S/C19H22N4O2/c24-19(22-13-14-2-1-7-21-12-14)23-15-3-4-16(23)11-18(10-15)25-17-5-8-20-9-6-17/h1-2,5-9,12,15-16,18H,3-4,10-11,13H2,(H,22,24)/t15-,16-/m0/s1
InChIKeyAYUXFOUSGHNJRU-HOTGVXAUSA-N
MW338.41 g/mol
LogP2.76
Rot. Bonds4

About (1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide

(1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 129416273) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name(1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID129416273
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCc1cccnc1)N1[C@H]2CC[C@H]1CC(Oc1ccncc1)C2
InChIInChI=1S/C19H22N4O2/c24-19(22-13-14-2-1-7-21-12-14)23-15-3-4-16(23)11-18(10-15)25-17-5-8-20-9-6-17/h1-2,5-9,12,15-16,18H,3-4,10-11,13H2,(H,22,24)/t15-,16-/m0/s1
InChIKeyAYUXFOUSGHNJRU-HOTGVXAUSA-N
XLogP2.76
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of (1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 129416273) is (1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for (1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for (1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(NCc1cccnc1)N1[C@H]2CC[C@H]1CC(Oc1ccncc1)C2.
What is the InChIKey of (1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is AYUXFOUSGHNJRU-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-19(22-13-14-2-1-7-21-12-14)23-15-3-4-16(23)11-18(10-15)25-17-5-8-20-9-6-17/h1-2,5-9,12,15-16,18H,3-4,10-11,13H2,(H,22,24)/t15-,16-/m0/s1.
What are the key properties of (1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
(1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 129416273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).