N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide

C20H15N5OS — CID 6900173

IUPACN-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccncc1
InChIInChI=1S/C20H15N5OS/c26-20(15-8-10-21-11-9-15)23-22-13-16-14-25(17-5-2-1-3-6-17)24-19(16)18-7-4-12-27-18/h1-14H,(H,23,26)/b22-13+
InChIKeyPWDGBFZGNFZPBM-LPYMAVHISA-N
MW373.44 g/mol
LogP3.76
Rot. Bonds5

About N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide (PubChem CID 6900173) has the molecular formula C20H15N5OS and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
PubChem CID6900173
Molecular FormulaC20H15N5OS
Molecular Weight373.44 g/mol
Exact Mass373.10
IUPAC NameN-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccncc1
InChIInChI=1S/C20H15N5OS/c26-20(15-8-10-21-11-9-15)23-22-13-16-14-25(17-5-2-1-3-6-17)24-19(16)18-7-4-12-27-18/h1-14H,(H,23,26)/b22-13+
InChIKeyPWDGBFZGNFZPBM-LPYMAVHISA-N
XLogP3.76
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide (CID 6900173) is N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccncc1.
What is the InChIKey of N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is PWDGBFZGNFZPBM-LPYMAVHISA-N. The full InChI is InChI=1S/C20H15N5OS/c26-20(15-8-10-21-11-9-15)23-22-13-16-14-25(17-5-2-1-3-6-17)24-19(16)18-7-4-12-27-18/h1-14H,(H,23,26)/b22-13+.
What are the key properties of N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6900173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).