6-[(E)-hydroxyiminomethyl]-N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-3-carboxamide

C15H15N5O3 — CID 135644447

IUPAC6-[(E)-hydroxyiminomethyl]-N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1ccc(/C=N/O)nc1)c1ccncc1
InChIInChI=1S/C15H15N5O3/c21-14(11-3-5-16-6-4-11)17-7-8-18-15(22)12-1-2-13(10-20-23)19-9-12/h1-6,9-10,23H,7-8H2,(H,17,21)(H,18,22)/b20-10+
InChIKeyQXSRSUBAXXKXOJ-KEBDBYFISA-N
MW313.32 g/mol
LogP0.44
Rot. Bonds6

About 6-[(E)-hydroxyiminomethyl]-N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-3-carboxamide

6-[(E)-hydroxyiminomethyl]-N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-3-carboxamide (PubChem CID 135644447) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 6-[(E)-hydroxyiminomethyl]-N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(E)-hydroxyiminomethyl]-N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-3-carboxamide
PubChem CID135644447
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name6-[(E)-hydroxyiminomethyl]-N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1ccc(/C=N/O)nc1)c1ccncc1
InChIInChI=1S/C15H15N5O3/c21-14(11-3-5-16-6-4-11)17-7-8-18-15(22)12-1-2-13(10-20-23)19-9-12/h1-6,9-10,23H,7-8H2,(H,17,21)(H,18,22)/b20-10+
InChIKeyQXSRSUBAXXKXOJ-KEBDBYFISA-N
XLogP0.44
TPSA116.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide
CID 135495466
6-(hydroxyiminomethyl)-N-propylpyridine-3-carboxamide
CID 135500225
N-[2-(2-hydroxyethylamino)ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide
CID 136801858
N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide
CID 135503305
N-[2-[benzyl(methyl)amino]ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide
CID 135873461
N-[2-[benzyl(methyl)amino]ethyl]-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide
CID 135513618
6-(hydroxyiminomethyl)-N-(piperidin-1-ium-4-ylmethyl)pyridine-3-carboxamide
CID 135499012
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108542296
N-butylpyridine-4-carboxamide
CID 5030535
(2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid
CID 107834157
N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 68891384

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-hydroxyiminomethyl]-N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(E)-hydroxyiminomethyl]-N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-3-carboxamide (CID 135644447) is 6-[(E)-hydroxyiminomethyl]-N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(E)-hydroxyiminomethyl]-N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(E)-hydroxyiminomethyl]-N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-3-carboxamide is O=C(NCCNC(=O)c1ccc(/C=N/O)nc1)c1ccncc1.
What is the InChIKey of 6-[(E)-hydroxyiminomethyl]-N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is QXSRSUBAXXKXOJ-KEBDBYFISA-N. The full InChI is InChI=1S/C15H15N5O3/c21-14(11-3-5-16-6-4-11)17-7-8-18-15(22)12-1-2-13(10-20-23)19-9-12/h1-6,9-10,23H,7-8H2,(H,17,21)(H,18,22)/b20-10+.
What are the key properties of 6-[(E)-hydroxyiminomethyl]-N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-3-carboxamide?
6-[(E)-hydroxyiminomethyl]-N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-hydroxyiminomethyl]-N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 135644447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).