1-[5-(1-hydroxypropan-2-yl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea

C16H20N4O3 — CID 151355906

IUPAC1-[5-(1-hydroxypropan-2-yl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2cncc(C)c2)c(C(C)CO)cn1
InChIInChI=1S/C16H20N4O3/c1-10-4-12(7-18-6-10)23-14-5-15(20-16(22)17-3)19-8-13(14)11(2)9-21/h4-8,11,21H,9H2,1-3H3,(H2,17,19,20,22)
InChIKeyONLVFFJIOJFXPY-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.42
Rot. Bonds5

About 1-[5-(1-hydroxypropan-2-yl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea

1-[5-(1-hydroxypropan-2-yl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea (PubChem CID 151355906) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[5-(1-hydroxypropan-2-yl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[5-(1-hydroxypropan-2-yl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
PubChem CID151355906
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-[5-(1-hydroxypropan-2-yl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2cncc(C)c2)c(C(C)CO)cn1
InChIInChI=1S/C16H20N4O3/c1-10-4-12(7-18-6-10)23-14-5-15(20-16(22)17-3)19-8-13(14)11(2)9-21/h4-8,11,21H,9H2,1-3H3,(H2,17,19,20,22)
InChIKeyONLVFFJIOJFXPY-UHFFFAOYSA-N
XLogP2.42
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-hydroxypropan-2-yl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[5-(1-hydroxypropan-2-yl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea (CID 151355906) is 1-[5-(1-hydroxypropan-2-yl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[5-(1-hydroxypropan-2-yl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[5-(1-hydroxypropan-2-yl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea is CNC(=O)Nc1cc(Oc2cncc(C)c2)c(C(C)CO)cn1.
What is the InChIKey of 1-[5-(1-hydroxypropan-2-yl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
The InChIKey is ONLVFFJIOJFXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10-4-12(7-18-6-10)23-14-5-15(20-16(22)17-3)19-8-13(14)11(2)9-21/h4-8,11,21H,9H2,1-3H3,(H2,17,19,20,22).
What are the key properties of 1-[5-(1-hydroxypropan-2-yl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
1-[5-(1-hydroxypropan-2-yl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea has a molecular weight of 316.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-hydroxypropan-2-yl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 151355906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).