N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-2-carboxamide

C16H15N3O3 — CID 11483359

IUPACN-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(/C=C/c1ccc(CNC(=O)c2ccccn2)cc1)NO
InChIInChI=1S/C16H15N3O3/c20-15(19-22)9-8-12-4-6-13(7-5-12)11-18-16(21)14-3-1-2-10-17-14/h1-10,22H,11H2,(H,18,21)(H,19,20)/b9-8+
InChIKeyYRRNJCQYPSWGAZ-CMDGGOBGSA-N
MW297.31 g/mol
LogP1.53
Rot. Bonds5

About N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-2-carboxamide

N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-2-carboxamide (PubChem CID 11483359) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-2-carboxamide
PubChem CID11483359
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(/C=C/c1ccc(CNC(=O)c2ccccn2)cc1)NO
InChIInChI=1S/C16H15N3O3/c20-15(19-22)9-8-12-4-6-13(7-5-12)11-18-16(21)14-3-1-2-10-17-14/h1-10,22H,11H2,(H,18,21)(H,19,20)/b9-8+
InChIKeyYRRNJCQYPSWGAZ-CMDGGOBGSA-N
XLogP1.53
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-2-carboxamide (CID 11483359) is N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-2-carboxamide is O=C(/C=C/c1ccc(CNC(=O)c2ccccn2)cc1)NO.
What is the InChIKey of N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is YRRNJCQYPSWGAZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-15(19-22)9-8-12-4-6-13(7-5-12)11-18-16(21)14-3-1-2-10-17-14/h1-10,22H,11H2,(H,18,21)(H,19,20)/b9-8+.
What are the key properties of N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-2-carboxamide?
N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 11483359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).