1-phenylmethoxy-3-(3-pyridin-4-yl-1H-indol-6-yl)urea

C21H18N4O2 — CID 11674857

IUPAC1-phenylmethoxy-3-(3-pyridin-4-yl-1H-indol-6-yl)urea
SMILESO=C(NOCc1ccccc1)Nc1ccc2c(-c3ccncc3)c[nH]c2c1
InChIInChI=1S/C21H18N4O2/c26-21(25-27-14-15-4-2-1-3-5-15)24-17-6-7-18-19(13-23-20(18)12-17)16-8-10-22-11-9-16/h1-13,23H,14H2,(H2,24,25,26)
InChIKeyAEXHDVQUMQTOMN-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.48
Rot. Bonds5

About 1-phenylmethoxy-3-(3-pyridin-4-yl-1H-indol-6-yl)urea

1-phenylmethoxy-3-(3-pyridin-4-yl-1H-indol-6-yl)urea (PubChem CID 11674857) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-phenylmethoxy-3-(3-pyridin-4-yl-1H-indol-6-yl)urea.

Molecular Properties

Compound Name1-phenylmethoxy-3-(3-pyridin-4-yl-1H-indol-6-yl)urea
PubChem CID11674857
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name1-phenylmethoxy-3-(3-pyridin-4-yl-1H-indol-6-yl)urea
SMILESO=C(NOCc1ccccc1)Nc1ccc2c(-c3ccncc3)c[nH]c2c1
InChIInChI=1S/C21H18N4O2/c26-21(25-27-14-15-4-2-1-3-5-15)24-17-6-7-18-19(13-23-20(18)12-17)16-8-10-22-11-9-16/h1-13,23H,14H2,(H2,24,25,26)
InChIKeyAEXHDVQUMQTOMN-UHFFFAOYSA-N
XLogP4.48
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-(3-pyridin-4-yl-1H-indol-6-yl)urea?
The IUPAC name of 1-phenylmethoxy-3-(3-pyridin-4-yl-1H-indol-6-yl)urea (CID 11674857) is 1-phenylmethoxy-3-(3-pyridin-4-yl-1H-indol-6-yl)urea.
What is the SMILES notation for 1-phenylmethoxy-3-(3-pyridin-4-yl-1H-indol-6-yl)urea?
The canonical SMILES for 1-phenylmethoxy-3-(3-pyridin-4-yl-1H-indol-6-yl)urea is O=C(NOCc1ccccc1)Nc1ccc2c(-c3ccncc3)c[nH]c2c1.
What is the InChIKey of 1-phenylmethoxy-3-(3-pyridin-4-yl-1H-indol-6-yl)urea?
The InChIKey is AEXHDVQUMQTOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-21(25-27-14-15-4-2-1-3-5-15)24-17-6-7-18-19(13-23-20(18)12-17)16-8-10-22-11-9-16/h1-13,23H,14H2,(H2,24,25,26).
What are the key properties of 1-phenylmethoxy-3-(3-pyridin-4-yl-1H-indol-6-yl)urea?
1-phenylmethoxy-3-(3-pyridin-4-yl-1H-indol-6-yl)urea has a molecular weight of 358.40 g/mol, XLogP of 4.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-(3-pyridin-4-yl-1H-indol-6-yl)urea is sourced from PubChem (CID 11674857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).