N-methyl-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(pyridin-3-ylmethyl)acetamide

C20H28N4O2 — CID 110195113

IUPACN-methyl-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1cccnc1)C(=O)CN1C[C@H]2C[C@H](C1)[C@H]1CCCC(=O)N1C2
InChIInChI=1S/C20H28N4O2/c1-22(10-15-4-3-7-21-9-15)20(26)14-23-11-16-8-17(13-23)18-5-2-6-19(25)24(18)12-16/h3-4,7,9,16-18H,2,5-6,8,10-14H2,1H3/t16-,17-,18-/m1/s1
InChIKeyMLEHZSGCNUFFDL-KZNAEPCWSA-N
MW356.47 g/mol
LogP1.37
Rot. Bonds4

About N-methyl-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(pyridin-3-ylmethyl)acetamide

N-methyl-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 110195113) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-methyl-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID110195113
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-methyl-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1cccnc1)C(=O)CN1C[C@H]2C[C@H](C1)[C@H]1CCCC(=O)N1C2
InChIInChI=1S/C20H28N4O2/c1-22(10-15-4-3-7-21-9-15)20(26)14-23-11-16-8-17(13-23)18-5-2-6-19(25)24(18)12-16/h3-4,7,9,16-18H,2,5-6,8,10-14H2,1H3/t16-,17-,18-/m1/s1
InChIKeyMLEHZSGCNUFFDL-KZNAEPCWSA-N
XLogP1.37
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(pyridin-3-ylmethyl)acetamide with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide
CID 134804091
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide
CID 110195148
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
(1R,2R,9R)-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110194953
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 119958237
N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 86979795
cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate
CID 112738794
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676
2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 94661738
(2R)-11-(pyridine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 134804806
N-methyl-N-(pyridin-3-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70776101

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 110195113) is N-methyl-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(pyridin-3-ylmethyl)acetamide is CN(Cc1cccnc1)C(=O)CN1C[C@H]2C[C@H](C1)[C@H]1CCCC(=O)N1C2.
What is the InChIKey of N-methyl-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is MLEHZSGCNUFFDL-KZNAEPCWSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-22(10-15-4-3-7-21-9-15)20(26)14-23-11-16-8-17(13-23)18-5-2-6-19(25)24(18)12-16/h3-4,7,9,16-18H,2,5-6,8,10-14H2,1H3/t16-,17-,18-/m1/s1.
What are the key properties of N-methyl-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(pyridin-3-ylmethyl)acetamide?
N-methyl-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 356.47 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 110195113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).