N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide

C12H11N3OS — CID 6878933

IUPACN-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2ccccn2)s1
InChIInChI=1S/C12H11N3OS/c1-9-5-6-10(17-9)8-14-15-12(16)11-4-2-3-7-13-11/h2-8H,1H3,(H,15,16)/b14-8+
InChIKeyMMKIBXLZUXTSKE-RIYZIHGNSA-N
MW245.31 g/mol
LogP2.22
Rot. Bonds3

About N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide

N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide (PubChem CID 6878933) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide
PubChem CID6878933
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC NameN-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2ccccn2)s1
InChIInChI=1S/C12H11N3OS/c1-9-5-6-10(17-9)8-14-15-12(16)11-4-2-3-7-13-11/h2-8H,1H3,(H,15,16)/b14-8+
InChIKeyMMKIBXLZUXTSKE-RIYZIHGNSA-N
XLogP2.22
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.22
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide (CID 6878933) is N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide is Cc1ccc(/C=N/NC(=O)c2ccccn2)s1.
What is the InChIKey of N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is MMKIBXLZUXTSKE-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-9-5-6-10(17-9)8-14-15-12(16)11-4-2-3-7-13-11/h2-8H,1H3,(H,15,16)/b14-8+.
What are the key properties of N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide?
N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 245.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 6878933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).