1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea

C17H27N3O2 — CID 119069380

IUPAC1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea
SMILESCCCCC(c1cccnc1)N(C)C(=O)NC1CCOCC1
InChIInChI=1S/C17H27N3O2/c1-3-4-7-16(14-6-5-10-18-13-14)20(2)17(21)19-15-8-11-22-12-9-15/h5-6,10,13,15-16H,3-4,7-9,11-12H2,1-2H3,(H,19,21)
InChIKeyCHUXTKJVHVSYBG-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.13
Rot. Bonds6

About 1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea

1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea (PubChem CID 119069380) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea.

Molecular Properties

Compound Name1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea
PubChem CID119069380
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea
SMILESCCCCC(c1cccnc1)N(C)C(=O)NC1CCOCC1
InChIInChI=1S/C17H27N3O2/c1-3-4-7-16(14-6-5-10-18-13-14)20(2)17(21)19-15-8-11-22-12-9-15/h5-6,10,13,15-16H,3-4,7-9,11-12H2,1-2H3,(H,19,21)
InChIKeyCHUXTKJVHVSYBG-UHFFFAOYSA-N
XLogP3.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea
CID 119065675
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea
CID 97436636
N,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide
CID 125172275
1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea
CID 137027899
1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1S)-1-pyridin-3-ylpentyl]urea
CID 137027898
4-(difluoromethoxy)-N-methyl-N-(1-pyridin-3-ylpentyl)benzamide
CID 131892363
N,1,3-trimethyl-2,6-dioxo-N-[(1S)-1-pyridin-3-ylpentyl]pyrimidine-4-carboxamide
CID 95144359
1-methyl-3-(1-prop-2-enylpiperidin-4-yl)-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 95614231
7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide
CID 96580826
6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide
CID 97113120
N-butyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pentanamide
CID 163155340
N-methyl-N-[2-[methyl(1-pyridin-3-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 131908751

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea?
The IUPAC name of 1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea (CID 119069380) is 1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea.
What is the SMILES notation for 1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea?
The canonical SMILES for 1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea is CCCCC(c1cccnc1)N(C)C(=O)NC1CCOCC1.
What is the InChIKey of 1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea?
The InChIKey is CHUXTKJVHVSYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-4-7-16(14-6-5-10-18-13-14)20(2)17(21)19-15-8-11-22-12-9-15/h5-6,10,13,15-16H,3-4,7-9,11-12H2,1-2H3,(H,19,21).
What are the key properties of 1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea?
1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea has a molecular weight of 305.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea is sourced from PubChem (CID 119069380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).