2-(2-oxo-1-pyridinyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide

C13H14N4O2 — CID 135702535

IUPAC2-(2-oxo-1-pyridinyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cn1ccccc1=O)c1ccc[nH]1
InChIInChI=1S/C13H14N4O2/c1-10(11-5-4-7-14-11)15-16-12(18)9-17-8-3-2-6-13(17)19/h2-8,14H,9H2,1H3,(H,16,18)/b15-10+
InChIKeyRRQZBZXQPCSFMM-XNTDXEJSSA-N
MW258.28 g/mol
LogP0.72
Rot. Bonds4

About 2-(2-oxo-1-pyridinyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide

2-(2-oxo-1-pyridinyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide (PubChem CID 135702535) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(2-oxo-1-pyridinyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1-pyridinyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide
PubChem CID135702535
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-(2-oxo-1-pyridinyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cn1ccccc1=O)c1ccc[nH]1
InChIInChI=1S/C13H14N4O2/c1-10(11-5-4-7-14-11)15-16-12(18)9-17-8-3-2-6-13(17)19/h2-8,14H,9H2,1H3,(H,16,18)/b15-10+
InChIKeyRRQZBZXQPCSFMM-XNTDXEJSSA-N
XLogP0.72
TPSA79.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8882847
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883957
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883245
N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8884138
2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide
CID 8883829
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 135702556
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide
CID 135763363
2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide
CID 8884023
N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 136711440
N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883873
2-bromo-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide
CID 135775128
N-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 62018645

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-pyridinyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(2-oxo-1-pyridinyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide (CID 135702535) is 2-(2-oxo-1-pyridinyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-oxo-1-pyridinyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2-oxo-1-pyridinyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide is C/C(=N\NC(=O)Cn1ccccc1=O)c1ccc[nH]1.
What is the InChIKey of 2-(2-oxo-1-pyridinyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide?
The InChIKey is RRQZBZXQPCSFMM-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-10(11-5-4-7-14-11)15-16-12(18)9-17-8-3-2-6-13(17)19/h2-8,14H,9H2,1H3,(H,16,18)/b15-10+.
What are the key properties of 2-(2-oxo-1-pyridinyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide?
2-(2-oxo-1-pyridinyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide has a molecular weight of 258.28 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-pyridinyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide is sourced from PubChem (CID 135702535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).