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

C15H14N4O2 — CID 21260594

IUPAC1-hydroxy-1-[(2-pyridin-3-ylindol-2-yl)methyl]urea
SMILESNC(=O)N(O)CC1(c2cccnc2)C=c2ccccc2=N1
InChIInChI=1S/C15H14N4O2/c16-14(20)19(21)10-15(12-5-3-7-17-9-12)8-11-4-1-2-6-13(11)18-15/h1-9,21H,10H2,(H2,16,20)
InChIKeyOHAIFZDWKWFTJC-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.16
Rot. Bonds3

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

1-hydroxy-1-[(2-pyridin-3-ylindol-2-yl)methyl]urea (PubChem CID 21260594) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-hydroxy-1-[(2-pyridin-3-ylindol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[(2-pyridin-3-ylindol-2-yl)methyl]urea
PubChem CID21260594
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-hydroxy-1-[(2-pyridin-3-ylindol-2-yl)methyl]urea
SMILESNC(=O)N(O)CC1(c2cccnc2)C=c2ccccc2=N1
InChIInChI=1S/C15H14N4O2/c16-14(20)19(21)10-15(12-5-3-7-17-9-12)8-11-4-1-2-6-13(11)18-15/h1-9,21H,10H2,(H2,16,20)
InChIKeyOHAIFZDWKWFTJC-UHFFFAOYSA-N
XLogP0.16
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.16
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-[(2-pyridin-3-ylindol-2-yl)methyl]urea?
The IUPAC name of 1-hydroxy-1-[(2-pyridin-3-ylindol-2-yl)methyl]urea (CID 21260594) is 1-hydroxy-1-[(2-pyridin-3-ylindol-2-yl)methyl]urea.
What is the SMILES notation for 1-hydroxy-1-[(2-pyridin-3-ylindol-2-yl)methyl]urea?
The canonical SMILES for 1-hydroxy-1-[(2-pyridin-3-ylindol-2-yl)methyl]urea is NC(=O)N(O)CC1(c2cccnc2)C=c2ccccc2=N1.
What is the InChIKey of 1-hydroxy-1-[(2-pyridin-3-ylindol-2-yl)methyl]urea?
The InChIKey is OHAIFZDWKWFTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-14(20)19(21)10-15(12-5-3-7-17-9-12)8-11-4-1-2-6-13(11)18-15/h1-9,21H,10H2,(H2,16,20).
What are the key properties of 1-hydroxy-1-[(2-pyridin-3-ylindol-2-yl)methyl]urea?
1-hydroxy-1-[(2-pyridin-3-ylindol-2-yl)methyl]urea has a molecular weight of 282.30 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[(2-pyridin-3-ylindol-2-yl)methyl]urea is sourced from PubChem (CID 21260594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).