(1S,5R,6S)-3-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

C15H22N4O2 — CID 155560695

IUPAC(1S,5R,6S)-3-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCCc1cnc(N2C[C@@H]3C[C@H](C(=O)N(C)C)[C@H](C2)O3)nc1
InChIInChI=1S/C15H22N4O2/c1-4-10-6-16-15(17-7-10)19-8-11-5-12(13(9-19)21-11)14(20)18(2)3/h6-7,11-13H,4-5,8-9H2,1-3H3/t11-,12-,13-/m0/s1
InChIKeyAKZQOWKZCIIVQW-AVGNSLFASA-N
MW290.37 g/mol
LogP0.72
Rot. Bonds3

About (1S,5R,6S)-3-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

(1S,5R,6S)-3-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (PubChem CID 155560695) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (1S,5R,6S)-3-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R,6S)-3-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
PubChem CID155560695
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(1S,5R,6S)-3-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCCc1cnc(N2C[C@@H]3C[C@H](C(=O)N(C)C)[C@H](C2)O3)nc1
InChIInChI=1S/C15H22N4O2/c1-4-10-6-16-15(17-7-10)19-8-11-5-12(13(9-19)21-11)14(20)18(2)3/h6-7,11-13H,4-5,8-9H2,1-3H3/t11-,12-,13-/m0/s1
InChIKeyAKZQOWKZCIIVQW-AVGNSLFASA-N
XLogP0.72
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,6S)-3-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The IUPAC name of (1S,5R,6S)-3-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (CID 155560695) is (1S,5R,6S)-3-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.
What is the SMILES notation for (1S,5R,6S)-3-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The canonical SMILES for (1S,5R,6S)-3-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is CCc1cnc(N2C[C@@H]3C[C@H](C(=O)N(C)C)[C@H](C2)O3)nc1.
What is the InChIKey of (1S,5R,6S)-3-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The InChIKey is AKZQOWKZCIIVQW-AVGNSLFASA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-10-6-16-15(17-7-10)19-8-11-5-12(13(9-19)21-11)14(20)18(2)3/h6-7,11-13H,4-5,8-9H2,1-3H3/t11-,12-,13-/m0/s1.
What are the key properties of (1S,5R,6S)-3-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
(1S,5R,6S)-3-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6S)-3-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is sourced from PubChem (CID 155560695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).