(1S,5R,6R,7S)-N-(6-methoxy-3-pyridinyl)-3-methyl-7-pyridin-4-yl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide;molecular hydrogen

C20H23N3O3 — CID 142490052

IUPAC(1S,5R,6R,7S)-N-(6-methoxy-3-pyridinyl)-3-methyl-7-pyridin-4-yl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide;molecular hydrogen
SMILESCOc1ccc(NC(=O)[C@@H]2[C@@H](c3ccncc3)[C@H]3O[C@@H]2C2C(C)C23)cn1.[H][H]
InChIInChI=1S/C20H21N3O3.H2/c1-10-14-15(10)19-17(16(18(14)26-19)11-5-7-21-8-6-11)20(24)23-12-3-4-13(25-2)22-9-12;/h3-10,14-19H,1-2H3,(H,23,24);1H/t10?,14?,15?,16-,17-,18+,19-;/m1./s1
InChIKeyQMSKUTKFSISLIX-KPEGAELFSA-N
MW353.42 g/mol
LogP2.73
Rot. Bonds4

About (1S,5R,6R,7S)-N-(6-methoxy-3-pyridinyl)-3-methyl-7-pyridin-4-yl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide;molecular hydrogen

(1S,5R,6R,7S)-N-(6-methoxy-3-pyridinyl)-3-methyl-7-pyridin-4-yl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide;molecular hydrogen (PubChem CID 142490052) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (1S,5R,6R,7S)-N-(6-methoxy-3-pyridinyl)-3-methyl-7-pyridin-4-yl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name(1S,5R,6R,7S)-N-(6-methoxy-3-pyridinyl)-3-methyl-7-pyridin-4-yl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide;molecular hydrogen
PubChem CID142490052
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(1S,5R,6R,7S)-N-(6-methoxy-3-pyridinyl)-3-methyl-7-pyridin-4-yl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide;molecular hydrogen
SMILESCOc1ccc(NC(=O)[C@@H]2[C@@H](c3ccncc3)[C@H]3O[C@@H]2C2C(C)C23)cn1.[H][H]
InChIInChI=1S/C20H21N3O3.H2/c1-10-14-15(10)19-17(16(18(14)26-19)11-5-7-21-8-6-11)20(24)23-12-3-4-13(25-2)22-9-12;/h3-10,14-19H,1-2H3,(H,23,24);1H/t10?,14?,15?,16-,17-,18+,19-;/m1./s1
InChIKeyQMSKUTKFSISLIX-KPEGAELFSA-N
XLogP2.73
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,5R,6R,7S)-N-(6-methoxy-3-pyridinyl)-3-methyl-7-pyridin-4-yl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide;molecular hydrogen with MolForge

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Related Compounds

(1S,5R,6R,7S)-N-(5,6-dichloro-3-pyridinyl)-3-methyl-7-pyridin-4-yl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide
CID 166828991
(3R)-N-(5,6-dichloro-3-pyridinyl)-3-methyl-7-pyridin-4-yl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide
CID 142490151
trans-(1R,2R)-N-(6-methoxy-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 27646060
(2S)-N-(6-methoxy-3-pyridinyl)oxolane-2-carboxamide
CID 34666491
2-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 51291677
2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-methyl-6-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide
CID 142490001
N-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide
CID 47178164
1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
CID 47139424
N-(6-methoxy-3-pyridinyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068226
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
2-(2-aminophenyl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 16795634
(1S,2R,4S)-N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98641643

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6R,7S)-N-(6-methoxy-3-pyridinyl)-3-methyl-7-pyridin-4-yl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide;molecular hydrogen?
The IUPAC name of (1S,5R,6R,7S)-N-(6-methoxy-3-pyridinyl)-3-methyl-7-pyridin-4-yl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide;molecular hydrogen (CID 142490052) is (1S,5R,6R,7S)-N-(6-methoxy-3-pyridinyl)-3-methyl-7-pyridin-4-yl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide;molecular hydrogen.
What is the SMILES notation for (1S,5R,6R,7S)-N-(6-methoxy-3-pyridinyl)-3-methyl-7-pyridin-4-yl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide;molecular hydrogen?
The canonical SMILES for (1S,5R,6R,7S)-N-(6-methoxy-3-pyridinyl)-3-methyl-7-pyridin-4-yl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide;molecular hydrogen is COc1ccc(NC(=O)[C@@H]2[C@@H](c3ccncc3)[C@H]3O[C@@H]2C2C(C)C23)cn1.[H][H].
What is the InChIKey of (1S,5R,6R,7S)-N-(6-methoxy-3-pyridinyl)-3-methyl-7-pyridin-4-yl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide;molecular hydrogen?
The InChIKey is QMSKUTKFSISLIX-KPEGAELFSA-N. The full InChI is InChI=1S/C20H21N3O3.H2/c1-10-14-15(10)19-17(16(18(14)26-19)11-5-7-21-8-6-11)20(24)23-12-3-4-13(25-2)22-9-12;/h3-10,14-19H,1-2H3,(H,23,24);1H/t10?,14?,15?,16-,17-,18+,19-;/m1./s1.
What are the key properties of (1S,5R,6R,7S)-N-(6-methoxy-3-pyridinyl)-3-methyl-7-pyridin-4-yl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide;molecular hydrogen?
(1S,5R,6R,7S)-N-(6-methoxy-3-pyridinyl)-3-methyl-7-pyridin-4-yl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide;molecular hydrogen has a molecular weight of 353.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6R,7S)-N-(6-methoxy-3-pyridinyl)-3-methyl-7-pyridin-4-yl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide;molecular hydrogen is sourced from PubChem (CID 142490052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).