1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-pyridin-4-yloxy-2-pyridinyl]-3-methylurea

C19H19N5O4 — CID 155511835

IUPAC1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-pyridin-4-yloxy-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2ccncc2)c(-c2ccc(OCCO)nc2)cn1
InChIInChI=1S/C19H19N5O4/c1-20-19(26)24-17-10-16(28-14-4-6-21-7-5-14)15(12-22-17)13-2-3-18(23-11-13)27-9-8-25/h2-7,10-12,25H,8-9H2,1H3,(H2,20,22,24,26)
InChIKeyFRLXHUUJKMRCPL-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.45
Rot. Bonds7

About 1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-pyridin-4-yloxy-2-pyridinyl]-3-methylurea

1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-pyridin-4-yloxy-2-pyridinyl]-3-methylurea (PubChem CID 155511835) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-pyridin-4-yloxy-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-pyridin-4-yloxy-2-pyridinyl]-3-methylurea
PubChem CID155511835
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-pyridin-4-yloxy-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2ccncc2)c(-c2ccc(OCCO)nc2)cn1
InChIInChI=1S/C19H19N5O4/c1-20-19(26)24-17-10-16(28-14-4-6-21-7-5-14)15(12-22-17)13-2-3-18(23-11-13)27-9-8-25/h2-7,10-12,25H,8-9H2,1H3,(H2,20,22,24,26)
InChIKeyFRLXHUUJKMRCPL-UHFFFAOYSA-N
XLogP2.45
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-pyridin-4-yloxy-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-pyridin-4-yloxy-2-pyridinyl]-3-methylurea (CID 155511835) is 1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-pyridin-4-yloxy-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-pyridin-4-yloxy-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-pyridin-4-yloxy-2-pyridinyl]-3-methylurea is CNC(=O)Nc1cc(Oc2ccncc2)c(-c2ccc(OCCO)nc2)cn1.
What is the InChIKey of 1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-pyridin-4-yloxy-2-pyridinyl]-3-methylurea?
The InChIKey is FRLXHUUJKMRCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-20-19(26)24-17-10-16(28-14-4-6-21-7-5-14)15(12-22-17)13-2-3-18(23-11-13)27-9-8-25/h2-7,10-12,25H,8-9H2,1H3,(H2,20,22,24,26).
What are the key properties of 1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-pyridin-4-yloxy-2-pyridinyl]-3-methylurea?
1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-pyridin-4-yloxy-2-pyridinyl]-3-methylurea has a molecular weight of 381.39 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-(2-hydroxyethoxy)-3-pyridinyl]-4-pyridin-4-yloxy-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 155511835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).