1-hydroxy-1-[[1-(pyridin-3-ylmethyl)indol-2-yl]methyl]urea

C16H16N4O2 — CID 21260607

IUPAC1-hydroxy-1-[[1-(pyridin-3-ylmethyl)indol-2-yl]methyl]urea
SMILESNC(=O)N(O)Cc1cc2ccccc2n1Cc1cccnc1
InChIInChI=1S/C16H16N4O2/c17-16(21)20(22)11-14-8-13-5-1-2-6-15(13)19(14)10-12-4-3-7-18-9-12/h1-9,22H,10-11H2,(H2,17,21)
InChIKeyBRPSKGNFPAVNIK-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.35
Rot. Bonds4

About 1-hydroxy-1-[[1-(pyridin-3-ylmethyl)indol-2-yl]methyl]urea

1-hydroxy-1-[[1-(pyridin-3-ylmethyl)indol-2-yl]methyl]urea (PubChem CID 21260607) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-hydroxy-1-[[1-(pyridin-3-ylmethyl)indol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[[1-(pyridin-3-ylmethyl)indol-2-yl]methyl]urea
PubChem CID21260607
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1-hydroxy-1-[[1-(pyridin-3-ylmethyl)indol-2-yl]methyl]urea
SMILESNC(=O)N(O)Cc1cc2ccccc2n1Cc1cccnc1
InChIInChI=1S/C16H16N4O2/c17-16(21)20(22)11-14-8-13-5-1-2-6-15(13)19(14)10-12-4-3-7-18-9-12/h1-9,22H,10-11H2,(H2,17,21)
InChIKeyBRPSKGNFPAVNIK-UHFFFAOYSA-N
XLogP2.35
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[[1-(pyridin-3-ylmethyl)indol-2-yl]methyl]urea?
The IUPAC name of 1-hydroxy-1-[[1-(pyridin-3-ylmethyl)indol-2-yl]methyl]urea (CID 21260607) is 1-hydroxy-1-[[1-(pyridin-3-ylmethyl)indol-2-yl]methyl]urea.
What is the SMILES notation for 1-hydroxy-1-[[1-(pyridin-3-ylmethyl)indol-2-yl]methyl]urea?
The canonical SMILES for 1-hydroxy-1-[[1-(pyridin-3-ylmethyl)indol-2-yl]methyl]urea is NC(=O)N(O)Cc1cc2ccccc2n1Cc1cccnc1.
What is the InChIKey of 1-hydroxy-1-[[1-(pyridin-3-ylmethyl)indol-2-yl]methyl]urea?
The InChIKey is BRPSKGNFPAVNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c17-16(21)20(22)11-14-8-13-5-1-2-6-15(13)19(14)10-12-4-3-7-18-9-12/h1-9,22H,10-11H2,(H2,17,21).
What are the key properties of 1-hydroxy-1-[[1-(pyridin-3-ylmethyl)indol-2-yl]methyl]urea?
1-hydroxy-1-[[1-(pyridin-3-ylmethyl)indol-2-yl]methyl]urea has a molecular weight of 296.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[[1-(pyridin-3-ylmethyl)indol-2-yl]methyl]urea is sourced from PubChem (CID 21260607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).