N-methyl-2-[4-(pyridine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide

C17H24N4O4 — CID 134072875

IUPACN-methyl-2-[4-(pyridine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide
SMILESCNC(=O)CN1CCOCC2(C1)CN(C(=O)c1ccccn1)CCO2
InChIInChI=1S/C17H24N4O4/c1-18-15(22)10-20-6-8-24-13-17(11-20)12-21(7-9-25-17)16(23)14-4-2-3-5-19-14/h2-5H,6-13H2,1H3,(H,18,22)
InChIKeyXVAJJOGYNSPYOH-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.63
Rot. Bonds3

About N-methyl-2-[4-(pyridine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide

N-methyl-2-[4-(pyridine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide (PubChem CID 134072875) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-methyl-2-[4-(pyridine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(pyridine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide
PubChem CID134072875
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC NameN-methyl-2-[4-(pyridine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide
SMILESCNC(=O)CN1CCOCC2(C1)CN(C(=O)c1ccccn1)CCO2
InChIInChI=1S/C17H24N4O4/c1-18-15(22)10-20-6-8-24-13-17(11-20)12-21(7-9-25-17)16(23)14-4-2-3-5-19-14/h2-5H,6-13H2,1H3,(H,18,22)
InChIKeyXVAJJOGYNSPYOH-UHFFFAOYSA-N
XLogP-0.63
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[8-(1H-pyrazol-5-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone
CID 118742942
[(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone
CID 97373153
1-[(6S)-4-(pyridin-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97495173
(8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155831962
pyridin-2-yl-[(2R,5S)-2-(pyrrolidin-1-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone
CID 97385875
tert-butyl 4-(pyridine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 118570228
2-[4-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N-methylacetamide
CID 134079078
pyridin-4-yl-(8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
CID 134070473
1-[(6R)-4-(pyrazine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97415961
[(5S)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridin-2-ylmethanone
CID 97472032
[6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-pyridin-2-ylmethanone
CID 132764545
1-[(6S)-4-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97373177

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(pyridine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(pyridine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide (CID 134072875) is N-methyl-2-[4-(pyridine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(pyridine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(pyridine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide is CNC(=O)CN1CCOCC2(C1)CN(C(=O)c1ccccn1)CCO2.
What is the InChIKey of N-methyl-2-[4-(pyridine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide?
The InChIKey is XVAJJOGYNSPYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-18-15(22)10-20-6-8-24-13-17(11-20)12-21(7-9-25-17)16(23)14-4-2-3-5-19-14/h2-5H,6-13H2,1H3,(H,18,22).
What are the key properties of N-methyl-2-[4-(pyridine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide?
N-methyl-2-[4-(pyridine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide has a molecular weight of 348.40 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(pyridine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide is sourced from PubChem (CID 134072875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).