3-(5-methyl-2-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea

C16H25N3O2 — CID 99595113

IUPAC3-(5-methyl-2-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea
SMILESCCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C16H25N3O2/c1-3-9-19(12-14-6-4-5-10-21-14)16(20)18-15-8-7-13(2)11-17-15/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,17,18,20)/t14-/m1/s1
InChIKeyYASWLOURTJKLMW-CQSZACIVSA-N
MW291.39 g/mol
LogP3.20
Rot. Bonds5

About 3-(5-methyl-2-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea

3-(5-methyl-2-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea (PubChem CID 99595113) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(5-methyl-2-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea.

Molecular Properties

Compound Name3-(5-methyl-2-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea
PubChem CID99595113
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-(5-methyl-2-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea
SMILESCCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C16H25N3O2/c1-3-9-19(12-14-6-4-5-10-21-14)16(20)18-15-8-7-13(2)11-17-15/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,17,18,20)/t14-/m1/s1
InChIKeyYASWLOURTJKLMW-CQSZACIVSA-N
XLogP3.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea?
The IUPAC name of 3-(5-methyl-2-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea (CID 99595113) is 3-(5-methyl-2-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea.
What is the SMILES notation for 3-(5-methyl-2-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea?
The canonical SMILES for 3-(5-methyl-2-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea is CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(C)cn1.
What is the InChIKey of 3-(5-methyl-2-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea?
The InChIKey is YASWLOURTJKLMW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-9-19(12-14-6-4-5-10-21-14)16(20)18-15-8-7-13(2)11-17-15/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,17,18,20)/t14-/m1/s1.
What are the key properties of 3-(5-methyl-2-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea?
3-(5-methyl-2-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea has a molecular weight of 291.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]-1-propylurea is sourced from PubChem (CID 99595113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).