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

C16H15N3O3 — CID 11392331

IUPACN-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(/C=C/c1ccc(CNC(=O)c2cccnc2)cc1)NO
InChIInChI=1S/C16H15N3O3/c20-15(19-22)8-7-12-3-5-13(6-4-12)10-18-16(21)14-2-1-9-17-11-14/h1-9,11,22H,10H2,(H,18,21)(H,19,20)/b8-7+
InChIKeyNOOZJYFJUZJPAV-BQYQJAHWSA-N
MW297.31 g/mol
LogP1.53
Rot. Bonds5

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

N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 11392331) 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-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-3-carboxamide
PubChem CID11392331
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(/C=C/c1ccc(CNC(=O)c2cccnc2)cc1)NO
InChIInChI=1S/C16H15N3O3/c20-15(19-22)8-7-12-3-5-13(6-4-12)10-18-16(21)14-2-1-9-17-11-14/h1-9,11,22H,10H2,(H,18,21)(H,19,20)/b8-7+
InChIKeyNOOZJYFJUZJPAV-BQYQJAHWSA-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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Related Compounds

Nicotinamide
CID 936
Nialamide
CID 4472
Nicorandil
CID 47528
N'-Methylnicotinamide
CID 64950
N,N-Diethylnicotinamide
CID 5497
Daporinad
CID 6914657
Nicotinohydroxamic acid
CID 71211
Nicotinuric Acid
CID 68499
Enisamium Iodide
CID 10089466
Nicotinamide N-oxide
CID 72661
Nicaraven
CID 71234
N-Ethylnicotinamide
CID 78007

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-3-carboxamide (CID 11392331) is N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-3-carboxamide is O=C(/C=C/c1ccc(CNC(=O)c2cccnc2)cc1)NO.
What is the InChIKey of N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is NOOZJYFJUZJPAV-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-15(19-22)8-7-12-3-5-13(6-4-12)10-18-16(21)14-2-1-9-17-11-14/h1-9,11,22H,10H2,(H,18,21)(H,19,20)/b8-7+.
What are the key properties of N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-3-carboxamide?
N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-3-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-3-carboxamide is sourced from PubChem (CID 11392331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).