1-[[9-(3-methoxypyridine-4-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea

C19H28N4O4 — CID 131691202

IUPAC1-[[9-(3-methoxypyridine-4-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea
SMILESCNC(=O)NCC1CCC2(CCN(C(=O)c3ccncc3OC)CC2)CO1
InChIInChI=1S/C19H28N4O4/c1-20-18(25)22-11-14-3-5-19(13-27-14)6-9-23(10-7-19)17(24)15-4-8-21-12-16(15)26-2/h4,8,12,14H,3,5-7,9-11,13H2,1-2H3,(H2,20,22,25)
InChIKeyPIHYPRYAJFDQQD-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.42
Rot. Bonds4

About 1-[[9-(3-methoxypyridine-4-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea

1-[[9-(3-methoxypyridine-4-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea (PubChem CID 131691202) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[[9-(3-methoxypyridine-4-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea.

Molecular Properties

Compound Name1-[[9-(3-methoxypyridine-4-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea
PubChem CID131691202
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name1-[[9-(3-methoxypyridine-4-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea
SMILESCNC(=O)NCC1CCC2(CCN(C(=O)c3ccncc3OC)CC2)CO1
InChIInChI=1S/C19H28N4O4/c1-20-18(25)22-11-14-3-5-19(13-27-14)6-9-23(10-7-19)17(24)15-4-8-21-12-16(15)26-2/h4,8,12,14H,3,5-7,9-11,13H2,1-2H3,(H2,20,22,25)
InChIKeyPIHYPRYAJFDQQD-UHFFFAOYSA-N
XLogP1.42
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[9-(3-methoxypyridine-4-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea 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-methyl-3-[[(3R)-9-(pyridine-2-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea
CID 97490740
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
1-[(9-benzyl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]-3-methylurea
CID 131642287
[4-(ethylamino)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062869
[4-(chloromethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105064486
(3-methoxy-4-pyridinyl)-morpholin-4-ylmethanone
CID 105063802
3-amino-1-(3-methoxypyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323207
(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-4-pyridinyl)methanone
CID 131689296
ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 105064219
[4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(3-methoxy-4-pyridinyl)methanone
CID 131691435
(3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 105064068

Frequently Asked Questions

What is the IUPAC name of 1-[[9-(3-methoxypyridine-4-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea?
The IUPAC name of 1-[[9-(3-methoxypyridine-4-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea (CID 131691202) is 1-[[9-(3-methoxypyridine-4-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea.
What is the SMILES notation for 1-[[9-(3-methoxypyridine-4-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea?
The canonical SMILES for 1-[[9-(3-methoxypyridine-4-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea is CNC(=O)NCC1CCC2(CCN(C(=O)c3ccncc3OC)CC2)CO1.
What is the InChIKey of 1-[[9-(3-methoxypyridine-4-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea?
The InChIKey is PIHYPRYAJFDQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-20-18(25)22-11-14-3-5-19(13-27-14)6-9-23(10-7-19)17(24)15-4-8-21-12-16(15)26-2/h4,8,12,14H,3,5-7,9-11,13H2,1-2H3,(H2,20,22,25).
What are the key properties of 1-[[9-(3-methoxypyridine-4-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea?
1-[[9-(3-methoxypyridine-4-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea has a molecular weight of 376.46 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[9-(3-methoxypyridine-4-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea is sourced from PubChem (CID 131691202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).