1-[5-(3,6-dihydro-2H-pyran-5-yl)-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea

C18H20N4O4 — CID 71603582

IUPAC1-[5-(3,6-dihydro-2H-pyran-5-yl)-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2cncc(OC)c2)c(C2=CCCOC2)cn1
InChIInChI=1S/C18H20N4O4/c1-19-18(23)22-17-7-16(26-14-6-13(24-2)8-20-9-14)15(10-21-17)12-4-3-5-25-11-12/h4,6-10H,3,5,11H2,1-2H3,(H2,19,21,22,23)
InChIKeyCUVIBBDRTIYKKQ-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.83
Rot. Bonds5

About 1-[5-(3,6-dihydro-2H-pyran-5-yl)-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea

1-[5-(3,6-dihydro-2H-pyran-5-yl)-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea (PubChem CID 71603582) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-[5-(3,6-dihydro-2H-pyran-5-yl)-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[5-(3,6-dihydro-2H-pyran-5-yl)-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
PubChem CID71603582
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name1-[5-(3,6-dihydro-2H-pyran-5-yl)-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2cncc(OC)c2)c(C2=CCCOC2)cn1
InChIInChI=1S/C18H20N4O4/c1-19-18(23)22-17-7-16(26-14-6-13(24-2)8-20-9-14)15(10-21-17)12-4-3-5-25-11-12/h4,6-10H,3,5,11H2,1-2H3,(H2,19,21,22,23)
InChIKeyCUVIBBDRTIYKKQ-UHFFFAOYSA-N
XLogP2.83
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-(3,6-dihydro-2H-pyran-5-yl)-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea with MolForge

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Related Compounds

3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
8-[[(5-Cyclobutyloxy-2-pyridinyl)amino]methyl]-3-pyridin-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 44159353
US10155760, Example 117
CID 118429768
US10155760, Example 120
CID 118429774
Aak1-IN-4
CID 118429891
US10155760, Example 146
CID 118429917
N-(2-methoxybenzyl)-2-methyl-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 3847875
N-(3-methyl-2-pyridinyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 17395946
5'-ethoxy-N-(6-methylpyridin-2-yl)-2,3'-bipyridin-6'-amine
CID 11220495
3-ethoxy-5-methyl-N-(6-methylpyridin-2-yl)pyridin-2-amine
CID 11299520
(3-Benzyloxy-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11369816

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,6-dihydro-2H-pyran-5-yl)-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[5-(3,6-dihydro-2H-pyran-5-yl)-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea (CID 71603582) is 1-[5-(3,6-dihydro-2H-pyran-5-yl)-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[5-(3,6-dihydro-2H-pyran-5-yl)-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[5-(3,6-dihydro-2H-pyran-5-yl)-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea is CNC(=O)Nc1cc(Oc2cncc(OC)c2)c(C2=CCCOC2)cn1.
What is the InChIKey of 1-[5-(3,6-dihydro-2H-pyran-5-yl)-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
The InChIKey is CUVIBBDRTIYKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-19-18(23)22-17-7-16(26-14-6-13(24-2)8-20-9-14)15(10-21-17)12-4-3-5-25-11-12/h4,6-10H,3,5,11H2,1-2H3,(H2,19,21,22,23).
What are the key properties of 1-[5-(3,6-dihydro-2H-pyran-5-yl)-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
1-[5-(3,6-dihydro-2H-pyran-5-yl)-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea has a molecular weight of 356.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,6-dihydro-2H-pyran-5-yl)-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 71603582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).