1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(2S,3R)-2-pyridin-3-yloxolan-3-yl]urea

C18H20N4O3 — CID 136584166

IUPAC1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(2S,3R)-2-pyridin-3-yloxolan-3-yl]urea
SMILESO=C(Nc1cnc2c(c1)COCC2)N[C@@H]1CCO[C@H]1c1cccnc1
InChIInChI=1S/C18H20N4O3/c23-18(21-14-8-13-11-24-6-3-15(13)20-10-14)22-16-4-7-25-17(16)12-2-1-5-19-9-12/h1-2,5,8-10,16-17H,3-4,6-7,11H2,(H2,21,22,23)/t16-,17+/m1/s1
InChIKeyYTPOKXLIIHFZIW-SJORKVTESA-N
MW340.38 g/mol
LogP2.20
Rot. Bonds3

About 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(2S,3R)-2-pyridin-3-yloxolan-3-yl]urea

1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(2S,3R)-2-pyridin-3-yloxolan-3-yl]urea (PubChem CID 136584166) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(2S,3R)-2-pyridin-3-yloxolan-3-yl]urea.

Molecular Properties

Compound Name1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(2S,3R)-2-pyridin-3-yloxolan-3-yl]urea
PubChem CID136584166
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(2S,3R)-2-pyridin-3-yloxolan-3-yl]urea
SMILESO=C(Nc1cnc2c(c1)COCC2)N[C@@H]1CCO[C@H]1c1cccnc1
InChIInChI=1S/C18H20N4O3/c23-18(21-14-8-13-11-24-6-3-15(13)20-10-14)22-16-4-7-25-17(16)12-2-1-5-19-9-12/h1-2,5,8-10,16-17H,3-4,6-7,11H2,(H2,21,22,23)/t16-,17+/m1/s1
InChIKeyYTPOKXLIIHFZIW-SJORKVTESA-N
XLogP2.20
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(2S,3R)-2-pyridin-3-yloxolan-3-yl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea
CID 146143349
1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2S,3R)-2-phenyloxolan-3-yl]urea
CID 129397274
N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxane-2-carboxamide
CID 127265241
4-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)benzene-1,4-dicarboxamide
CID 154801089
(2S,5S)-5-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxolane-2-carboxamide
CID 129347009
(3S)-3-benzyl-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 97259812
N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-pyrrol-1-ylbenzamide
CID 136520957
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea
CID 75399805
1-ethyl-5-oxo-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]pyrrolidine-3-carboxamide
CID 154793571
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-phenyloxan-4-yl)urea
CID 75478295
1-[(2S,4S)-2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea
CID 129347498
1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592

Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(2S,3R)-2-pyridin-3-yloxolan-3-yl]urea?
The IUPAC name of 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(2S,3R)-2-pyridin-3-yloxolan-3-yl]urea (CID 136584166) is 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(2S,3R)-2-pyridin-3-yloxolan-3-yl]urea.
What is the SMILES notation for 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(2S,3R)-2-pyridin-3-yloxolan-3-yl]urea?
The canonical SMILES for 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(2S,3R)-2-pyridin-3-yloxolan-3-yl]urea is O=C(Nc1cnc2c(c1)COCC2)N[C@@H]1CCO[C@H]1c1cccnc1.
What is the InChIKey of 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(2S,3R)-2-pyridin-3-yloxolan-3-yl]urea?
The InChIKey is YTPOKXLIIHFZIW-SJORKVTESA-N. The full InChI is InChI=1S/C18H20N4O3/c23-18(21-14-8-13-11-24-6-3-15(13)20-10-14)22-16-4-7-25-17(16)12-2-1-5-19-9-12/h1-2,5,8-10,16-17H,3-4,6-7,11H2,(H2,21,22,23)/t16-,17+/m1/s1.
What are the key properties of 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(2S,3R)-2-pyridin-3-yloxolan-3-yl]urea?
1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(2S,3R)-2-pyridin-3-yloxolan-3-yl]urea has a molecular weight of 340.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(2S,3R)-2-pyridin-3-yloxolan-3-yl]urea is sourced from PubChem (CID 136584166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).