3-(dimethylcarbamoylamino)-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

C18H27N5O3 — CID 131662056

IUPAC3-(dimethylcarbamoylamino)-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCN(C)C(=O)NC1COC2(CCN(C(=O)NCc3cccnc3)CC2)C1
InChIInChI=1S/C18H27N5O3/c1-22(2)17(25)21-15-10-18(26-13-15)5-8-23(9-6-18)16(24)20-12-14-4-3-7-19-11-14/h3-4,7,11,15H,5-6,8-10,12-13H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyIVWPOMUPQBLMRO-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.19
Rot. Bonds3

About 3-(dimethylcarbamoylamino)-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

3-(dimethylcarbamoylamino)-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 131662056) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-(dimethylcarbamoylamino)-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name3-(dimethylcarbamoylamino)-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID131662056
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name3-(dimethylcarbamoylamino)-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCN(C)C(=O)NC1COC2(CCN(C(=O)NCc3cccnc3)CC2)C1
InChIInChI=1S/C18H27N5O3/c1-22(2)17(25)21-15-10-18(26-13-15)5-8-23(9-6-18)16(24)20-12-14-4-3-7-19-11-14/h3-4,7,11,15H,5-6,8-10,12-13H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyIVWPOMUPQBLMRO-UHFFFAOYSA-N
XLogP1.19
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[methyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97487726
1,1-dimethyl-3-[(4S)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea
CID 98897243
(3R,5R)-N-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97485718
(3S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97485708
2-methyl-N-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 118745549
N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
CID 97399609
(2R,3S)-N-(pyridin-3-ylmethyl)-2-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-5-carboxamide
CID 97396668
3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 166233761
N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446435
4-methylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47125297
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108617
4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 23381452

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylcarbamoylamino)-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 3-(dimethylcarbamoylamino)-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (CID 131662056) is 3-(dimethylcarbamoylamino)-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 3-(dimethylcarbamoylamino)-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 3-(dimethylcarbamoylamino)-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is CN(C)C(=O)NC1COC2(CCN(C(=O)NCc3cccnc3)CC2)C1.
What is the InChIKey of 3-(dimethylcarbamoylamino)-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is IVWPOMUPQBLMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-22(2)17(25)21-15-10-18(26-13-15)5-8-23(9-6-18)16(24)20-12-14-4-3-7-19-11-14/h3-4,7,11,15H,5-6,8-10,12-13H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 3-(dimethylcarbamoylamino)-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
3-(dimethylcarbamoylamino)-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylcarbamoylamino)-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 131662056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).