1-(2-methyl-2-pyridin-4-ylpropyl)-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea

C18H26N4O2 — CID 124736285

IUPAC1-(2-methyl-2-pyridin-4-ylpropyl)-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea
SMILESCC(C)(CNC(=O)N[C@@H]1CCC(=O)NC12CCC2)c1ccncc1
InChIInChI=1S/C18H26N4O2/c1-17(2,13-6-10-19-11-7-13)12-20-16(24)21-14-4-5-15(23)22-18(14)8-3-9-18/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,22,23)(H2,20,21,24)/t14-/m1/s1
InChIKeyOXHHJTIPWLCTTJ-CQSZACIVSA-N
MW330.43 g/mol
LogP1.86
Rot. Bonds4

About 1-(2-methyl-2-pyridin-4-ylpropyl)-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea

1-(2-methyl-2-pyridin-4-ylpropyl)-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea (PubChem CID 124736285) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(2-methyl-2-pyridin-4-ylpropyl)-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea.

Molecular Properties

Compound Name1-(2-methyl-2-pyridin-4-ylpropyl)-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea
PubChem CID124736285
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-(2-methyl-2-pyridin-4-ylpropyl)-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea
SMILESCC(C)(CNC(=O)N[C@@H]1CCC(=O)NC12CCC2)c1ccncc1
InChIInChI=1S/C18H26N4O2/c1-17(2,13-6-10-19-11-7-13)12-20-16(24)21-14-4-5-15(23)22-18(14)8-3-9-18/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,22,23)(H2,20,21,24)/t14-/m1/s1
InChIKeyOXHHJTIPWLCTTJ-CQSZACIVSA-N
XLogP1.86
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-pyridin-4-ylpropyl)-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea?
The IUPAC name of 1-(2-methyl-2-pyridin-4-ylpropyl)-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea (CID 124736285) is 1-(2-methyl-2-pyridin-4-ylpropyl)-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea.
What is the SMILES notation for 1-(2-methyl-2-pyridin-4-ylpropyl)-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea?
The canonical SMILES for 1-(2-methyl-2-pyridin-4-ylpropyl)-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea is CC(C)(CNC(=O)N[C@@H]1CCC(=O)NC12CCC2)c1ccncc1.
What is the InChIKey of 1-(2-methyl-2-pyridin-4-ylpropyl)-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea?
The InChIKey is OXHHJTIPWLCTTJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-17(2,13-6-10-19-11-7-13)12-20-16(24)21-14-4-5-15(23)22-18(14)8-3-9-18/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,22,23)(H2,20,21,24)/t14-/m1/s1.
What are the key properties of 1-(2-methyl-2-pyridin-4-ylpropyl)-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea?
1-(2-methyl-2-pyridin-4-ylpropyl)-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea has a molecular weight of 330.43 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-pyridin-4-ylpropyl)-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea is sourced from PubChem (CID 124736285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).