1-methyl-3-[[(3R)-9-(pyridine-2-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea

C18H26N4O3 — CID 97490740

IUPAC1-methyl-3-[[(3R)-9-(pyridine-2-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea
SMILESCNC(=O)NC[C@H]1CCC2(CCN(C(=O)c3ccccn3)CC2)CO1
InChIInChI=1S/C18H26N4O3/c1-19-17(24)21-12-14-5-6-18(13-25-14)7-10-22(11-8-18)16(23)15-4-2-3-9-20-15/h2-4,9,14H,5-8,10-13H2,1H3,(H2,19,21,24)/t14-/m1/s1
InChIKeyGUAWQVLZDFARRA-CQSZACIVSA-N
MW346.43 g/mol
LogP1.41
Rot. Bonds3

About 1-methyl-3-[[(3R)-9-(pyridine-2-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea

1-methyl-3-[[(3R)-9-(pyridine-2-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea (PubChem CID 97490740) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-methyl-3-[[(3R)-9-(pyridine-2-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[[(3R)-9-(pyridine-2-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea
PubChem CID97490740
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-methyl-3-[[(3R)-9-(pyridine-2-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea
SMILESCNC(=O)NC[C@H]1CCC2(CCN(C(=O)c3ccccn3)CC2)CO1
InChIInChI=1S/C18H26N4O3/c1-19-17(24)21-12-14-5-6-18(13-25-14)7-10-22(11-8-18)16(23)15-4-2-3-9-20-15/h2-4,9,14H,5-8,10-13H2,1H3,(H2,19,21,24)/t14-/m1/s1
InChIKeyGUAWQVLZDFARRA-CQSZACIVSA-N
XLogP1.41
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-[[(3R)-9-(pyridine-2-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea with MolForge

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Related Compounds

1-[[(3R)-9-benzoyl-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea
CID 97490738
1-[[9-(3-methoxypyridine-4-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea
CID 131691202
1-[(9-benzyl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]-3-methylurea
CID 131642287
1-methyl-3-[[9-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea
CID 131688282
[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
CID 125017858
[(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
CID 175655804
N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
CID 92620703
1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid
CID 68604423
[4-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-hydroxyazepan-1-yl]-pyridin-2-ylmethanone
CID 155991273
pyridin-4-yl-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131658723
[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
CID 97491916
[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9209032

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[(3R)-9-(pyridine-2-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea?
The IUPAC name of 1-methyl-3-[[(3R)-9-(pyridine-2-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea (CID 97490740) is 1-methyl-3-[[(3R)-9-(pyridine-2-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea.
What is the SMILES notation for 1-methyl-3-[[(3R)-9-(pyridine-2-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea?
The canonical SMILES for 1-methyl-3-[[(3R)-9-(pyridine-2-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea is CNC(=O)NC[C@H]1CCC2(CCN(C(=O)c3ccccn3)CC2)CO1.
What is the InChIKey of 1-methyl-3-[[(3R)-9-(pyridine-2-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea?
The InChIKey is GUAWQVLZDFARRA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-19-17(24)21-12-14-5-6-18(13-25-14)7-10-22(11-8-18)16(23)15-4-2-3-9-20-15/h2-4,9,14H,5-8,10-13H2,1H3,(H2,19,21,24)/t14-/m1/s1.
What are the key properties of 1-methyl-3-[[(3R)-9-(pyridine-2-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea?
1-methyl-3-[[(3R)-9-(pyridine-2-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea has a molecular weight of 346.43 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[(3R)-9-(pyridine-2-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea is sourced from PubChem (CID 97490740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).