N-[[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide

C17H15N5O — CID 4968034

IUPACN-[[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide
SMILESO=C(NN=C(Cc1ncc[nH]1)c1ccccc1)c1ccncc1
InChIInChI=1S/C17H15N5O/c23-17(14-6-8-18-9-7-14)22-21-15(12-16-19-10-11-20-16)13-4-2-1-3-5-13/h1-11H,12H2,(H,19,20)(H,22,23)
InChIKeyRQBHYALYYSCIKB-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.18
Rot. Bonds5

About N-[[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide

N-[[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide (PubChem CID 4968034) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide
PubChem CID4968034
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-[[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide
SMILESO=C(NN=C(Cc1ncc[nH]1)c1ccccc1)c1ccncc1
InChIInChI=1S/C17H15N5O/c23-17(14-6-8-18-9-7-14)22-21-15(12-16-19-10-11-20-16)13-4-2-1-3-5-13/h1-11H,12H2,(H,19,20)(H,22,23)
InChIKeyRQBHYALYYSCIKB-UHFFFAOYSA-N
XLogP2.18
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
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-[[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide?
The IUPAC name of N-[[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide (CID 4968034) is N-[[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide is O=C(NN=C(Cc1ncc[nH]1)c1ccccc1)c1ccncc1.
What is the InChIKey of N-[[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide?
The InChIKey is RQBHYALYYSCIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c23-17(14-6-8-18-9-7-14)22-21-15(12-16-19-10-11-20-16)13-4-2-1-3-5-13/h1-11H,12H2,(H,19,20)(H,22,23).
What are the key properties of N-[[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide?
N-[[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide is sourced from PubChem (CID 4968034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).