1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea

C15H23N3O2 — CID 128999330

IUPAC1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
SMILESCc1ccc(NC(=O)NC[C@H]2CCO[C@@H]2C(C)C)nc1
InChIInChI=1S/C15H23N3O2/c1-10(2)14-12(6-7-20-14)9-17-15(19)18-13-5-4-11(3)8-16-13/h4-5,8,10,12,14H,6-7,9H2,1-3H3,(H2,16,17,18,19)/t12-,14-/m1/s1
InChIKeyJIZMGIJBCZHCDW-TZMCWYRMSA-N
MW277.37 g/mol
LogP2.57
Rot. Bonds4

About 1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea

1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea (PubChem CID 128999330) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
PubChem CID128999330
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
SMILESCc1ccc(NC(=O)NC[C@H]2CCO[C@@H]2C(C)C)nc1
InChIInChI=1S/C15H23N3O2/c1-10(2)14-12(6-7-20-14)9-17-15(19)18-13-5-4-11(3)8-16-13/h4-5,8,10,12,14H,6-7,9H2,1-3H3,(H2,16,17,18,19)/t12-,14-/m1/s1
InChIKeyJIZMGIJBCZHCDW-TZMCWYRMSA-N
XLogP2.57
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea (CID 128999330) is 1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea is Cc1ccc(NC(=O)NC[C@H]2CCO[C@@H]2C(C)C)nc1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
The InChIKey is JIZMGIJBCZHCDW-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)14-12(6-7-20-14)9-17-15(19)18-13-5-4-11(3)8-16-13/h4-5,8,10,12,14H,6-7,9H2,1-3H3,(H2,16,17,18,19)/t12-,14-/m1/s1.
What are the key properties of 1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea has a molecular weight of 277.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea is sourced from PubChem (CID 128999330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).