1-[5-(cyclohexylmethyl)-3-[(2-ethyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea

C21H28N4O2 — CID 118722866

IUPAC1-[5-(cyclohexylmethyl)-3-[(2-ethyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
SMILESCCc1ncccc1Oc1cc(CC2CCCCC2)cnc1NC(=O)NC
InChIInChI=1S/C21H28N4O2/c1-3-17-18(10-7-11-23-17)27-19-13-16(12-15-8-5-4-6-9-15)14-24-20(19)25-21(26)22-2/h7,10-11,13-15H,3-6,8-9,12H2,1-2H3,(H2,22,24,25,26)
InChIKeyLDRZWXMZIPLJON-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.71
Rot. Bonds6

About 1-[5-(cyclohexylmethyl)-3-[(2-ethyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea

1-[5-(cyclohexylmethyl)-3-[(2-ethyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea (PubChem CID 118722866) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[5-(cyclohexylmethyl)-3-[(2-ethyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[5-(cyclohexylmethyl)-3-[(2-ethyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
PubChem CID118722866
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-[5-(cyclohexylmethyl)-3-[(2-ethyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
SMILESCCc1ncccc1Oc1cc(CC2CCCCC2)cnc1NC(=O)NC
InChIInChI=1S/C21H28N4O2/c1-3-17-18(10-7-11-23-17)27-19-13-16(12-15-8-5-4-6-9-15)14-24-20(19)25-21(26)22-2/h7,10-11,13-15H,3-6,8-9,12H2,1-2H3,(H2,22,24,25,26)
InChIKeyLDRZWXMZIPLJON-UHFFFAOYSA-N
XLogP4.71
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclohexylmethyl)-3-[(2-ethyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[5-(cyclohexylmethyl)-3-[(2-ethyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea (CID 118722866) is 1-[5-(cyclohexylmethyl)-3-[(2-ethyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[5-(cyclohexylmethyl)-3-[(2-ethyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[5-(cyclohexylmethyl)-3-[(2-ethyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea is CCc1ncccc1Oc1cc(CC2CCCCC2)cnc1NC(=O)NC.
What is the InChIKey of 1-[5-(cyclohexylmethyl)-3-[(2-ethyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
The InChIKey is LDRZWXMZIPLJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-3-17-18(10-7-11-23-17)27-19-13-16(12-15-8-5-4-6-9-15)14-24-20(19)25-21(26)22-2/h7,10-11,13-15H,3-6,8-9,12H2,1-2H3,(H2,22,24,25,26).
What are the key properties of 1-[5-(cyclohexylmethyl)-3-[(2-ethyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
1-[5-(cyclohexylmethyl)-3-[(2-ethyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea has a molecular weight of 368.48 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclohexylmethyl)-3-[(2-ethyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 118722866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).