N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide

C16H15N3O — CID 6893677

IUPACN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
SMILESCC(/C=N/NC(=O)c1cccnc1)=C\c1ccccc1
InChIInChI=1S/C16H15N3O/c1-13(10-14-6-3-2-4-7-14)11-18-19-16(20)15-8-5-9-17-12-15/h2-12H,1H3,(H,19,20)/b13-10+,18-11+
InChIKeyIBQCUYPFRQKZNZ-HWVXOFFASA-N
MW265.32 g/mol
LogP2.90
Rot. Bonds4

About N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide

N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide (PubChem CID 6893677) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
PubChem CID6893677
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
SMILESCC(/C=N/NC(=O)c1cccnc1)=C\c1ccccc1
InChIInChI=1S/C16H15N3O/c1-13(10-14-6-3-2-4-7-14)11-18-19-16(20)15-8-5-9-17-12-15/h2-12H,1H3,(H,19,20)/b13-10+,18-11+
InChIKeyIBQCUYPFRQKZNZ-HWVXOFFASA-N
XLogP2.90
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
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)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide (CID 6893677) is N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide is CC(/C=N/NC(=O)c1cccnc1)=C\c1ccccc1.
What is the InChIKey of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
The InChIKey is IBQCUYPFRQKZNZ-HWVXOFFASA-N. The full InChI is InChI=1S/C16H15N3O/c1-13(10-14-6-3-2-4-7-14)11-18-19-16(20)15-8-5-9-17-12-15/h2-12H,1H3,(H,19,20)/b13-10+,18-11+.
What are the key properties of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide is sourced from PubChem (CID 6893677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).