N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-3-ylacetamide

C22H26N4O — CID 131895417

IUPACN-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NC1C2CN3CCN(C2)CC1(c1ccccc1)C3
InChIInChI=1S/C22H26N4O/c27-20(11-17-5-4-8-23-12-17)24-21-18-13-25-9-10-26(14-18)16-22(21,15-25)19-6-2-1-3-7-19/h1-8,12,18,21H,9-11,13-16H2,(H,24,27)
InChIKeyZQAXJDSPHWPJCG-UHFFFAOYSA-N
MW362.48 g/mol
LogP1.31
Rot. Bonds4

About N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-3-ylacetamide

N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-3-ylacetamide (PubChem CID 131895417) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-3-ylacetamide
PubChem CID131895417
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NC1C2CN3CCN(C2)CC1(c1ccccc1)C3
InChIInChI=1S/C22H26N4O/c27-20(11-17-5-4-8-23-12-17)24-21-18-13-25-9-10-26(14-18)16-22(21,15-25)19-6-2-1-3-7-19/h1-8,12,18,21H,9-11,13-16H2,(H,24,27)
InChIKeyZQAXJDSPHWPJCG-UHFFFAOYSA-N
XLogP1.31
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-4-ylacetamide
CID 131946986
N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 118792092
3-(2-methylimidazol-1-yl)-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide
CID 131936378
N-[2-[[(9S)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl]carbamoylamino]ethyl]acetamide
CID 126433835
1-(2-ethylpyrazol-3-yl)-3-[(9S)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl]urea
CID 97434335
4-[[(9R)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl]amino]pyrimidine-5-carboxylic acid
CID 98842200
1-(difluoromethyl)-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)pyrazole-3-carboxamide
CID 131892112
4-chloro-1,3-dimethyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)pyrazole-5-carboxamide
CID 131940808
1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine
CID 131914689
1-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)indole-4-carboxamide
CID 131951396
1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 72933718
CID 66868100
CID 66868100

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-3-ylacetamide?
The IUPAC name of N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-3-ylacetamide (CID 131895417) is N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)NC1C2CN3CCN(C2)CC1(c1ccccc1)C3.
What is the InChIKey of N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-3-ylacetamide?
The InChIKey is ZQAXJDSPHWPJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c27-20(11-17-5-4-8-23-12-17)24-21-18-13-25-9-10-26(14-18)16-22(21,15-25)19-6-2-1-3-7-19/h1-8,12,18,21H,9-11,13-16H2,(H,24,27).
What are the key properties of N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-3-ylacetamide?
N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-3-ylacetamide has a molecular weight of 362.48 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 131895417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).