N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide

C11H10N4O — CID 135450850

IUPACN-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccc[nH]1)c1cccnc1
InChIInChI=1S/C11H10N4O/c16-11(9-3-1-5-12-7-9)15-14-8-10-4-2-6-13-10/h1-8,13H,(H,15,16)/b14-8+
InChIKeyCVRFMLMGRCWLQD-RIYZIHGNSA-N
MW214.23 g/mol
LogP1.17
Rot. Bonds3

About N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide

N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide (PubChem CID 135450850) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide
PubChem CID135450850
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC NameN-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccc[nH]1)c1cccnc1
InChIInChI=1S/C11H10N4O/c16-11(9-3-1-5-12-7-9)15-14-8-10-4-2-6-13-10/h1-8,13H,(H,15,16)/b14-8+
InChIKeyCVRFMLMGRCWLQD-RIYZIHGNSA-N
XLogP1.17
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide (CID 135450850) is N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide is O=C(N/N=C/c1ccc[nH]1)c1cccnc1.
What is the InChIKey of N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide?
The InChIKey is CVRFMLMGRCWLQD-RIYZIHGNSA-N. The full InChI is InChI=1S/C11H10N4O/c16-11(9-3-1-5-12-7-9)15-14-8-10-4-2-6-13-10/h1-8,13H,(H,15,16)/b14-8+.
What are the key properties of N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide?
N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide has a molecular weight of 214.23 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 135450850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).