N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide

C20H31N3O — CID 97451304

IUPACN,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide
SMILESCN(C)C(=O)CC1CCC2(CC1)CCN(Cc1ccccn1)CC2
InChIInChI=1S/C20H31N3O/c1-22(2)19(24)15-17-6-8-20(9-7-17)10-13-23(14-11-20)16-18-5-3-4-12-21-18/h3-5,12,17H,6-11,13-16H2,1-2H3
InChIKeyFDNFCUJGYOTTKK-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.33
Rot. Bonds4

About N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide

N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide (PubChem CID 97451304) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide
PubChem CID97451304
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide
SMILESCN(C)C(=O)CC1CCC2(CC1)CCN(Cc1ccccn1)CC2
InChIInChI=1S/C20H31N3O/c1-22(2)19(24)15-17-6-8-20(9-7-17)10-13-23(14-11-20)16-18-5-3-4-12-21-18/h3-5,12,17H,6-11,13-16H2,1-2H3
InChIKeyFDNFCUJGYOTTKK-UHFFFAOYSA-N
XLogP3.33
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
CID 97451205
3-methylsulfonyl-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450340
N,N-dimethyl-2-[2-[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]ethoxy]acetamide
CID 131677276
2-[3-(furan-3-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155829320
3-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-3,9-diazaspiro[5.5]undecane
CID 97450332
morpholin-4-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 97450345
2-[[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole
CID 97370593
oxolan-3-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 134077446
2-[3-[(5-ethoxy-2-pyridinyl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 155956947
2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid
CID 117025535
2-(cyclopropylmethyl)-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155843233
N,N-dimethyl-2-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155847565

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide (CID 97451304) is N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide is CN(C)C(=O)CC1CCC2(CC1)CCN(Cc1ccccn1)CC2.
What is the InChIKey of N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide?
The InChIKey is FDNFCUJGYOTTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-22(2)19(24)15-17-6-8-20(9-7-17)10-13-23(14-11-20)16-18-5-3-4-12-21-18/h3-5,12,17H,6-11,13-16H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide?
N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide has a molecular weight of 329.49 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide is sourced from PubChem (CID 97451304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).