1,1-dimethyl-3-[7-(1-methyl-6-oxopyridine-2-carbonyl)-7-azaspiro[3.5]nonan-2-yl]urea

C18H26N4O3 — CID 131687128

IUPAC1,1-dimethyl-3-[7-(1-methyl-6-oxopyridine-2-carbonyl)-7-azaspiro[3.5]nonan-2-yl]urea
SMILESCN(C)C(=O)NC1CC2(CCN(C(=O)c3cccc(=O)n3C)CC2)C1
InChIInChI=1S/C18H26N4O3/c1-20(2)17(25)19-13-11-18(12-13)7-9-22(10-8-18)16(24)14-5-4-6-15(23)21(14)3/h4-6,13H,7-12H2,1-3H3,(H,19,25)
InChIKeyHZCJHAXLCUPHLM-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.04
Rot. Bonds2

About 1,1-dimethyl-3-[7-(1-methyl-6-oxopyridine-2-carbonyl)-7-azaspiro[3.5]nonan-2-yl]urea

1,1-dimethyl-3-[7-(1-methyl-6-oxopyridine-2-carbonyl)-7-azaspiro[3.5]nonan-2-yl]urea (PubChem CID 131687128) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1,1-dimethyl-3-[7-(1-methyl-6-oxopyridine-2-carbonyl)-7-azaspiro[3.5]nonan-2-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[7-(1-methyl-6-oxopyridine-2-carbonyl)-7-azaspiro[3.5]nonan-2-yl]urea
PubChem CID131687128
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1,1-dimethyl-3-[7-(1-methyl-6-oxopyridine-2-carbonyl)-7-azaspiro[3.5]nonan-2-yl]urea
SMILESCN(C)C(=O)NC1CC2(CCN(C(=O)c3cccc(=O)n3C)CC2)C1
InChIInChI=1S/C18H26N4O3/c1-20(2)17(25)19-13-11-18(12-13)7-9-22(10-8-18)16(24)14-5-4-6-15(23)21(14)3/h4-6,13H,7-12H2,1-3H3,(H,19,25)
InChIKeyHZCJHAXLCUPHLM-UHFFFAOYSA-N
XLogP1.04
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1-dimethyl-3-[7-(1-methyl-6-oxopyridine-2-carbonyl)-7-azaspiro[3.5]nonan-2-yl]urea with MolForge

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Related Compounds

3-[7-[(3-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea
CID 98894447
1,1-dimethyl-3-[6-(3-propan-2-yloxybenzoyl)-6-azaspiro[3.4]octan-2-yl]urea
CID 155873855
1,1-dimethyl-3-[7-(thiophen-3-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]urea
CID 98897633
3-[7-[(1,3-dimethylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea
CID 98894910
1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea
CID 108566970
1,1-dimethyl-3-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]urea
CID 98895938
6-(7-bromo-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-1-methylpyridin-2-one
CID 166284955
1,1-dimethyl-3-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-6-azaspiro[3.4]octan-2-yl]urea
CID 155870312
1-methyl-6-oxo-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide
CID 166230701
3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea
CID 131642141
1,1-dimethyl-3-[1-(5-phenyl-2H-triazole-4-carbonyl)piperidin-4-yl]urea
CID 166254505
1,1-dimethyl-3-[2-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea
CID 72904104

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[7-(1-methyl-6-oxopyridine-2-carbonyl)-7-azaspiro[3.5]nonan-2-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[7-(1-methyl-6-oxopyridine-2-carbonyl)-7-azaspiro[3.5]nonan-2-yl]urea (CID 131687128) is 1,1-dimethyl-3-[7-(1-methyl-6-oxopyridine-2-carbonyl)-7-azaspiro[3.5]nonan-2-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[7-(1-methyl-6-oxopyridine-2-carbonyl)-7-azaspiro[3.5]nonan-2-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[7-(1-methyl-6-oxopyridine-2-carbonyl)-7-azaspiro[3.5]nonan-2-yl]urea is CN(C)C(=O)NC1CC2(CCN(C(=O)c3cccc(=O)n3C)CC2)C1.
What is the InChIKey of 1,1-dimethyl-3-[7-(1-methyl-6-oxopyridine-2-carbonyl)-7-azaspiro[3.5]nonan-2-yl]urea?
The InChIKey is HZCJHAXLCUPHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-20(2)17(25)19-13-11-18(12-13)7-9-22(10-8-18)16(24)14-5-4-6-15(23)21(14)3/h4-6,13H,7-12H2,1-3H3,(H,19,25).
What are the key properties of 1,1-dimethyl-3-[7-(1-methyl-6-oxopyridine-2-carbonyl)-7-azaspiro[3.5]nonan-2-yl]urea?
1,1-dimethyl-3-[7-(1-methyl-6-oxopyridine-2-carbonyl)-7-azaspiro[3.5]nonan-2-yl]urea has a molecular weight of 346.43 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[7-(1-methyl-6-oxopyridine-2-carbonyl)-7-azaspiro[3.5]nonan-2-yl]urea is sourced from PubChem (CID 131687128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).