N-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide

C25H20N3OP — CID 177413509

IUPACN-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccn1
InChIInChI=1S/C25H20N3OP/c29-25(23-16-9-10-18-26-23)28-27-19-20-11-7-8-17-24(20)30(21-12-3-1-4-13-21)22-14-5-2-6-15-22/h1-19H,(H,28,29)/b27-19+
InChIKeyMMFWGRKUSBBDOR-ZXVVBBHZSA-N
MW409.43 g/mol
LogP3.60
Rot. Bonds6

About N-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide

N-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide (PubChem CID 177413509) has the molecular formula C25H20N3OP and a molecular weight of 409.43 g/mol. Its IUPAC name is N-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide
PubChem CID177413509
Molecular FormulaC25H20N3OP
Molecular Weight409.43 g/mol
Exact Mass409.13
IUPAC NameN-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccn1
InChIInChI=1S/C25H20N3OP/c29-25(23-16-9-10-18-26-23)28-27-19-20-11-7-8-17-24(20)30(21-12-3-1-4-13-21)22-14-5-2-6-15-22/h1-19H,(H,28,29)/b27-19+
InChIKeyMMFWGRKUSBBDOR-ZXVVBBHZSA-N
XLogP3.60
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 53.60
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide
CID 760228
N-[(2-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847584
N-[(2-hydroxy-3-nitrophenyl)methylideneamino]pyridine-2-carboxamide
CID 3707808
N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 139068920
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 760222
N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]pyridine-2-carboxamide
CID 136750100
N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 136794117
N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6866321
N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide
CID 177472748
N-[(E)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-2-carboxamide
CID 44507700
2-N,6-N-bis[(Z)-pyridin-2-ylmethylideneamino]pyridine-2,6-dicarboxamide
CID 5437141
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6887460

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide (CID 177413509) is N-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide is O=C(N/N=C/c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccn1.
What is the InChIKey of N-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is MMFWGRKUSBBDOR-ZXVVBBHZSA-N. The full InChI is InChI=1S/C25H20N3OP/c29-25(23-16-9-10-18-26-23)28-27-19-20-11-7-8-17-24(20)30(21-12-3-1-4-13-21)22-14-5-2-6-15-22/h1-19H,(H,28,29)/b27-19+.
What are the key properties of N-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide?
N-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 409.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 177413509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).