(1R,5S)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C16H23N3O2 — CID 86294062

IUPAC(1R,5S)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1ccncc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C16H23N3O2/c1-10-4-5-17-8-13(10)21-9-16(2,3)19-15(20)14-11-6-18-7-12(11)14/h4-5,8,11-12,14,18H,6-7,9H2,1-3H3,(H,19,20)/t11-,12+,14?
InChIKeyONJOCEZJQZZBQO-ONXXMXGDSA-N
MW289.38 g/mol
LogP1.13
Rot. Bonds5

About (1R,5S)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 86294062) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (1R,5S)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID86294062
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(1R,5S)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1ccncc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C16H23N3O2/c1-10-4-5-17-8-13(10)21-9-16(2,3)19-15(20)14-11-6-18-7-12(11)14/h4-5,8,11-12,14,18H,6-7,9H2,1-3H3,(H,19,20)/t11-,12+,14?
InChIKeyONJOCEZJQZZBQO-ONXXMXGDSA-N
XLogP1.13
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 86294062) is (1R,5S)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is Cc1ccncc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.
What is the InChIKey of (1R,5S)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is ONJOCEZJQZZBQO-ONXXMXGDSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-4-5-17-8-13(10)21-9-16(2,3)19-15(20)14-11-6-18-7-12(11)14/h4-5,8,11-12,14,18H,6-7,9H2,1-3H3,(H,19,20)/t11-,12+,14?.
What are the key properties of (1R,5S)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 86294062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).