N-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide

C17H13N3OS — CID 678526

IUPACN-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide
SMILESO=C(NN=C(c1ccccc1)c1cccs1)c1ccncc1
InChIInChI=1S/C17H13N3OS/c21-17(14-8-10-18-11-9-14)20-19-16(15-7-4-12-22-15)13-5-2-1-3-6-13/h1-12H,(H,20,21)
InChIKeyUKXBECBFLZSJIY-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.33
Rot. Bonds4

About N-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide

N-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide (PubChem CID 678526) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide
PubChem CID678526
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC NameN-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide
SMILESO=C(NN=C(c1ccccc1)c1cccs1)c1ccncc1
InChIInChI=1S/C17H13N3OS/c21-17(14-8-10-18-11-9-14)20-19-16(15-7-4-12-22-15)13-5-2-1-3-6-13/h1-12H,(H,20,21)
InChIKeyUKXBECBFLZSJIY-UHFFFAOYSA-N
XLogP3.33
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
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-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
CID 46202828
N-[(E)-(4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbutylidene)amino]pyridine-4-carboxamide
CID 6391535
4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409143
4-nitro-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409142
4-(benzenesulfonamido)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 86771827
3-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6522388
3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6872195
N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 4069311
N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide
CID 904362
3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 4105259
2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride
CID 88671183
N'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide
CID 4192624

Frequently Asked Questions

What is the IUPAC name of N-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide?
The IUPAC name of N-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide (CID 678526) is N-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide is O=C(NN=C(c1ccccc1)c1cccs1)c1ccncc1.
What is the InChIKey of N-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide?
The InChIKey is UKXBECBFLZSJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c21-17(14-8-10-18-11-9-14)20-19-16(15-7-4-12-22-15)13-5-2-1-3-6-13/h1-12H,(H,20,21).
What are the key properties of N-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide?
N-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide is sourced from PubChem (CID 678526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).