N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide

C16H22N2O3 — CID 77087174

IUPACN-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H22N2O3/c19-15(10-13-2-1-6-17-12-13)18-14-3-7-21-16(11-14)4-8-20-9-5-16/h1-2,6,12,14H,3-5,7-11H2,(H,18,19)
InChIKeyNNGOCDMFAYVZQM-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.47
Rot. Bonds3

About N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide

N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide (PubChem CID 77087174) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide
PubChem CID77087174
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H22N2O3/c19-15(10-13-2-1-6-17-12-13)18-14-3-7-21-16(11-14)4-8-20-9-5-16/h1-2,6,12,14H,3-5,7-11H2,(H,18,19)
InChIKeyNNGOCDMFAYVZQM-UHFFFAOYSA-N
XLogP1.47
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone
CID 79921687
1,1-dimethyl-3-[(4S)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea
CID 98897243
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-phenoxybutanamide
CID 90651583
N-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895344
N-(6-oxopiperidin-3-yl)-2-pyridin-3-ylacetamide
CID 63661195
N-(4-ethyl-4-methylcyclohexyl)-2-pyridin-3-ylacetamide
CID 130233519
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 70756202
N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2-pyridin-3-ylacetamide
CID 133267139
1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-pyridin-3-ylethanone
CID 125462418
N-(1-oxaspiro[5.5]undecan-4-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 71968225
N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 99956818
4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 62689674

Frequently Asked Questions

What is the IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide?
The IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide (CID 77087174) is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)NC1CCOC2(CCOCC2)C1.
What is the InChIKey of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide?
The InChIKey is NNGOCDMFAYVZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(10-13-2-1-6-17-12-13)18-14-3-7-21-16(11-14)4-8-20-9-5-16/h1-2,6,12,14H,3-5,7-11H2,(H,18,19).
What are the key properties of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide?
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide has a molecular weight of 290.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 77087174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).