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

C14H21N3O2 — CID 97437277

IUPAC1-methyl-3-(5-methyl-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]urea
SMILESCc1cncc(NC(=O)N(C)C[C@H]2CCCCO2)c1
InChIInChI=1S/C14H21N3O2/c1-11-7-12(9-15-8-11)16-14(18)17(2)10-13-5-3-4-6-19-13/h7-9,13H,3-6,10H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyMBJBLMFVQFDOLO-CYBMUJFWSA-N
MW263.34 g/mol
LogP2.42
Rot. Bonds3

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

1-methyl-3-(5-methyl-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]urea (PubChem CID 97437277) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-methyl-3-(5-methyl-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(5-methyl-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]urea
PubChem CID97437277
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-methyl-3-(5-methyl-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]urea
SMILESCc1cncc(NC(=O)N(C)C[C@H]2CCCCO2)c1
InChIInChI=1S/C14H21N3O2/c1-11-7-12(9-15-8-11)16-14(18)17(2)10-13-5-3-4-6-19-13/h7-9,13H,3-6,10H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyMBJBLMFVQFDOLO-CYBMUJFWSA-N
XLogP2.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methyl-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]urea?
The IUPAC name of 1-methyl-3-(5-methyl-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]urea (CID 97437277) is 1-methyl-3-(5-methyl-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]urea.
What is the SMILES notation for 1-methyl-3-(5-methyl-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]urea?
The canonical SMILES for 1-methyl-3-(5-methyl-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]urea is Cc1cncc(NC(=O)N(C)C[C@H]2CCCCO2)c1.
What is the InChIKey of 1-methyl-3-(5-methyl-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]urea?
The InChIKey is MBJBLMFVQFDOLO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-7-12(9-15-8-11)16-14(18)17(2)10-13-5-3-4-6-19-13/h7-9,13H,3-6,10H2,1-2H3,(H,16,18)/t13-/m1/s1.
What are the key properties of 1-methyl-3-(5-methyl-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]urea?
1-methyl-3-(5-methyl-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]urea has a molecular weight of 263.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methyl-3-pyridinyl)-1-[[(2R)-oxan-2-yl]methyl]urea is sourced from PubChem (CID 97437277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).