3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide

C16H16N4O3 — CID 51105836

IUPAC3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)c3ncccc3O)cc2)CCN1
InChIInChI=1S/C16H16N4O3/c21-13-2-1-7-18-15(13)16(23)19-11-3-5-12(6-4-11)20-9-8-17-14(22)10-20/h1-7,21H,8-10H2,(H,17,22)(H,19,23)
InChIKeyIDTOKOMARJULBD-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.98
Rot. Bonds3

About 3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide

3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide (PubChem CID 51105836) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide
PubChem CID51105836
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)c3ncccc3O)cc2)CCN1
InChIInChI=1S/C16H16N4O3/c21-13-2-1-7-18-15(13)16(23)19-11-3-5-12(6-4-11)20-9-8-17-14(22)10-20/h1-7,21H,8-10H2,(H,17,22)(H,19,23)
InChIKeyIDTOKOMARJULBD-UHFFFAOYSA-N
XLogP0.98
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 62490450
1-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrole-2-carboxamide
CID 78875733
5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]furan-2-carboxamide
CID 46473375
3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 107518403
4-[(2-methylcyclopropanecarbonyl)amino]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 46473729
N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 78876546
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38941036
N-[4-(3-oxopiperazin-1-yl)phenyl]-3H-benzo[e]indole-2-carboxamide
CID 86991457
1-benzyl-5-ethyl-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrazole-4-carboxamide
CID 78876541
1-[2-(3-methylphenoxy)ethyl]-3-[4-(3-oxopiperazin-1-yl)phenyl]urea
CID 47039732
N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78883362
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 46468087

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide (CID 51105836) is 3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide is O=C1CN(c2ccc(NC(=O)c3ncccc3O)cc2)CCN1.
What is the InChIKey of 3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is IDTOKOMARJULBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c21-13-2-1-7-18-15(13)16(23)19-11-3-5-12(6-4-11)20-9-8-17-14(22)10-20/h1-7,21H,8-10H2,(H,17,22)(H,19,23).
What are the key properties of 3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide?
3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 51105836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).