1-(1-hydroxy-2-oxopiperidin-3-yl)-3-(6-methyl-2-pyridinyl)urea

C12H16N4O3 — CID 126839937

IUPAC1-(1-hydroxy-2-oxopiperidin-3-yl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NC2CCCN(O)C2=O)n1
InChIInChI=1S/C12H16N4O3/c1-8-4-2-6-10(13-8)15-12(18)14-9-5-3-7-16(19)11(9)17/h2,4,6,9,19H,3,5,7H2,1H3,(H2,13,14,15,18)
InChIKeyQNWKOUGOQAUWLJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.89
Rot. Bonds2

About 1-(1-hydroxy-2-oxopiperidin-3-yl)-3-(6-methyl-2-pyridinyl)urea

1-(1-hydroxy-2-oxopiperidin-3-yl)-3-(6-methyl-2-pyridinyl)urea (PubChem CID 126839937) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-(1-hydroxy-2-oxopiperidin-3-yl)-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-oxopiperidin-3-yl)-3-(6-methyl-2-pyridinyl)urea
PubChem CID126839937
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name1-(1-hydroxy-2-oxopiperidin-3-yl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NC2CCCN(O)C2=O)n1
InChIInChI=1S/C12H16N4O3/c1-8-4-2-6-10(13-8)15-12(18)14-9-5-3-7-16(19)11(9)17/h2,4,6,9,19H,3,5,7H2,1H3,(H2,13,14,15,18)
InChIKeyQNWKOUGOQAUWLJ-UHFFFAOYSA-N
XLogP0.89
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-2-[(6-methyl-2-pyridinyl)carbamoylamino]cyclopentane-1-carboxamide
CID 127266097
2-methyl-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 127513725
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
N-(6-methyl-2-pyridinyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61019426
1-(2,2-dimethyloxan-4-yl)-3-(6-methyl-2-pyridinyl)urea
CID 75507988
(3R)-1-[(2R)-1-amino-1-oxopropan-2-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 124818575
1-(6-methyl-2-pyridinyl)-3-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]urea
CID 124740660
1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 104891772
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
(3R)-N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide
CID 95141951
cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 95401115
1-(1,3-dioxan-2-ylmethyl)-3-(6-methyl-2-pyridinyl)urea
CID 127265841

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-oxopiperidin-3-yl)-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(1-hydroxy-2-oxopiperidin-3-yl)-3-(6-methyl-2-pyridinyl)urea (CID 126839937) is 1-(1-hydroxy-2-oxopiperidin-3-yl)-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(1-hydroxy-2-oxopiperidin-3-yl)-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(1-hydroxy-2-oxopiperidin-3-yl)-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)NC2CCCN(O)C2=O)n1.
What is the InChIKey of 1-(1-hydroxy-2-oxopiperidin-3-yl)-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is QNWKOUGOQAUWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8-4-2-6-10(13-8)15-12(18)14-9-5-3-7-16(19)11(9)17/h2,4,6,9,19H,3,5,7H2,1H3,(H2,13,14,15,18).
What are the key properties of 1-(1-hydroxy-2-oxopiperidin-3-yl)-3-(6-methyl-2-pyridinyl)urea?
1-(1-hydroxy-2-oxopiperidin-3-yl)-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 264.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-oxopiperidin-3-yl)-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 126839937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).