2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide

C21H15Cl2N5O2 — CID 171981138

IUPAC2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide
SMILESO=C(N/N=C/c1cccc(Cl)c1)c1cccc(C(=O)N/N=C/c2cccc(Cl)c2)n1
InChIInChI=1S/C21H15Cl2N5O2/c22-16-6-1-4-14(10-16)12-24-27-20(29)18-8-3-9-19(26-18)21(30)28-25-13-15-5-2-7-17(23)11-15/h1-13H,(H,27,29)(H,28,30)/b24-12+,25-13+
InChIKeyCTAMKOUTARRURK-DWGHPKEWSA-N
MW440.29 g/mol
LogP3.92
Rot. Bonds6

About 2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide

2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide (PubChem CID 171981138) has the molecular formula C21H15Cl2N5O2 and a molecular weight of 440.29 g/mol. Its IUPAC name is 2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide
PubChem CID171981138
Molecular FormulaC21H15Cl2N5O2
Molecular Weight440.29 g/mol
Exact Mass439.06
IUPAC Name2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide
SMILESO=C(N/N=C/c1cccc(Cl)c1)c1cccc(C(=O)N/N=C/c2cccc(Cl)c2)n1
InChIInChI=1S/C21H15Cl2N5O2/c22-16-6-1-4-14(10-16)12-24-27-20(29)18-8-3-9-19(26-18)21(30)28-25-13-15-5-2-7-17(23)11-15/h1-13H,(H,27,29)(H,28,30)/b24-12+,25-13+
InChIKeyCTAMKOUTARRURK-DWGHPKEWSA-N
XLogP3.92
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.29
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

N-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 725244
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide
CID 6899012
methyl N-[(3-chlorophenyl)methylideneamino]carbamate
CID 909415
4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide
CID 5427466
N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 5370945
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6887460
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450
N-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 4105460
2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide
CID 71952071

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide (CID 171981138) is 2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide is O=C(N/N=C/c1cccc(Cl)c1)c1cccc(C(=O)N/N=C/c2cccc(Cl)c2)n1.
What is the InChIKey of 2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide?
The InChIKey is CTAMKOUTARRURK-DWGHPKEWSA-N. The full InChI is InChI=1S/C21H15Cl2N5O2/c22-16-6-1-4-14(10-16)12-24-27-20(29)18-8-3-9-19(26-18)21(30)28-25-13-15-5-2-7-17(23)11-15/h1-13H,(H,27,29)(H,28,30)/b24-12+,25-13+.
What are the key properties of 2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide has a molecular weight of 440.29 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 171981138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).