(1R,2S,8R,9S)-N,N-dimethyl-6-oxo-11-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide

C22H28N6O3 — CID 171388521

IUPAC(1R,2S,8R,9S)-N,N-dimethyl-6-oxo-11-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide
SMILESCN(C)C(=O)[C@H]1[C@H]2C[C@H](CN(Cc3nc(-c4cccnc4)no3)C2)[C@@H]2CCCC(=O)N21
InChIInChI=1S/C22H28N6O3/c1-26(2)22(30)20-16-9-15(17-6-3-7-19(29)28(17)20)11-27(12-16)13-18-24-21(25-31-18)14-5-4-8-23-10-14/h4-5,8,10,15-17,20H,3,6-7,9,11-13H2,1-2H3/t15-,16+,17+,20-/m1/s1
InChIKeyNSERDFIJZOMNGT-NHAYFPRASA-N
MW424.51 g/mol
LogP1.42
Rot. Bonds4

About (1R,2S,8R,9S)-N,N-dimethyl-6-oxo-11-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide

(1R,2S,8R,9S)-N,N-dimethyl-6-oxo-11-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide (PubChem CID 171388521) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is (1R,2S,8R,9S)-N,N-dimethyl-6-oxo-11-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide.

Molecular Properties

Compound Name(1R,2S,8R,9S)-N,N-dimethyl-6-oxo-11-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide
PubChem CID171388521
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC Name(1R,2S,8R,9S)-N,N-dimethyl-6-oxo-11-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide
SMILESCN(C)C(=O)[C@H]1[C@H]2C[C@H](CN(Cc3nc(-c4cccnc4)no3)C2)[C@@H]2CCCC(=O)N21
InChIInChI=1S/C22H28N6O3/c1-26(2)22(30)20-16-9-15(17-6-3-7-19(29)28(17)20)11-27(12-16)13-18-24-21(25-31-18)14-5-4-8-23-10-14/h4-5,8,10,15-17,20H,3,6-7,9,11-13H2,1-2H3/t15-,16+,17+,20-/m1/s1
InChIKeyNSERDFIJZOMNGT-NHAYFPRASA-N
XLogP1.42
TPSA95.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1R,2S,8R,9S)-N,N-dimethyl-6-oxo-11-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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4-amino-1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one
CID 168700333
(4-methoxyphenyl)-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 78848111
(6R)-2,2,6-trimethyl-4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 95586182
(3S,4S)-4-phenyl-1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 171915585
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 55477935
4-ethynyl-1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one
CID 168501864
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 47027058
1-morpholin-4-yl-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 55478105
(1R,2S,8R,9S)-11-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-8-(thiomorpholine-4-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 171388671
(1R,2S,8R,9S)-11-(2,1,3-benzoxadiazol-4-ylmethyl)-N-cyclopropyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide
CID 171914391
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874

Frequently Asked Questions

What is the IUPAC name of (1R,2S,8R,9S)-N,N-dimethyl-6-oxo-11-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide?
The IUPAC name of (1R,2S,8R,9S)-N,N-dimethyl-6-oxo-11-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide (CID 171388521) is (1R,2S,8R,9S)-N,N-dimethyl-6-oxo-11-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide.
What is the SMILES notation for (1R,2S,8R,9S)-N,N-dimethyl-6-oxo-11-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide?
The canonical SMILES for (1R,2S,8R,9S)-N,N-dimethyl-6-oxo-11-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide is CN(C)C(=O)[C@H]1[C@H]2C[C@H](CN(Cc3nc(-c4cccnc4)no3)C2)[C@@H]2CCCC(=O)N21.
What is the InChIKey of (1R,2S,8R,9S)-N,N-dimethyl-6-oxo-11-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide?
The InChIKey is NSERDFIJZOMNGT-NHAYFPRASA-N. The full InChI is InChI=1S/C22H28N6O3/c1-26(2)22(30)20-16-9-15(17-6-3-7-19(29)28(17)20)11-27(12-16)13-18-24-21(25-31-18)14-5-4-8-23-10-14/h4-5,8,10,15-17,20H,3,6-7,9,11-13H2,1-2H3/t15-,16+,17+,20-/m1/s1.
What are the key properties of (1R,2S,8R,9S)-N,N-dimethyl-6-oxo-11-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide?
(1R,2S,8R,9S)-N,N-dimethyl-6-oxo-11-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,8R,9S)-N,N-dimethyl-6-oxo-11-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide is sourced from PubChem (CID 171388521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).