N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide

C22H19N5O2S — CID 8883635

IUPACN-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)N/N=C\c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C22H19N5O2S/c28-20(16-26-11-5-4-10-21(26)29)24-23-13-18-15-27(14-17-7-2-1-3-8-17)25-22(18)19-9-6-12-30-19/h1-13,15H,14,16H2,(H,24,28)/b23-13-
InChIKeyKWQVPCCNSGCTQN-QRVIBDJDSA-N
MW417.49 g/mol
LogP2.97
Rot. Bonds7

About N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide

N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 8883635) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID8883635
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC NameN-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)N/N=C\c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C22H19N5O2S/c28-20(16-26-11-5-4-10-21(26)29)24-23-13-18-15-27(14-17-7-2-1-3-8-17)25-22(18)19-9-6-12-30-19/h1-13,15H,14,16H2,(H,24,28)/b23-13-
InChIKeyKWQVPCCNSGCTQN-QRVIBDJDSA-N
XLogP2.97
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
CID 9074309
N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide
CID 9211955
N'-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]oxamide
CID 9120952
N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-4-methylbenzamide
CID 9175314
2-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]isoindole-1,3-dione
CID 9072543
1-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9176218
3-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]propanamide
CID 1283174
2-(2-oxo-1-pyridinyl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 8883215
(Z)-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine
CID 9058693
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 135702532
N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 9143206
2-(2-oxo-1-pyridinyl)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 8883298

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide (CID 8883635) is N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide is O=C(Cn1ccccc1=O)N/N=C\c1cn(Cc2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is KWQVPCCNSGCTQN-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H19N5O2S/c28-20(16-26-11-5-4-10-21(26)29)24-23-13-18-15-27(14-17-7-2-1-3-8-17)25-22(18)19-9-6-12-30-19/h1-13,15H,14,16H2,(H,24,28)/b23-13-.
What are the key properties of N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 417.49 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 8883635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).