N-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide

C16H15ClN4O2 — CID 4633351

IUPACN-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1Cl)NN=Cc1cccnc1
InChIInChI=1S/C16H15ClN4O2/c17-13-5-1-2-6-14(13)20-15(22)7-8-16(23)21-19-11-12-4-3-9-18-10-12/h1-6,9-11H,7-8H2,(H,20,22)(H,21,23)
InChIKeyAUSMRABAQRDXRE-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.60
Rot. Bonds6

About N-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide

N-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide (PubChem CID 4633351) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
PubChem CID4633351
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC NameN-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1Cl)NN=Cc1cccnc1
InChIInChI=1S/C16H15ClN4O2/c17-13-5-1-2-6-14(13)20-15(22)7-8-16(23)21-19-11-12-4-3-9-18-10-12/h1-6,9-11H,7-8H2,(H,20,22)(H,21,23)
InChIKeyAUSMRABAQRDXRE-UHFFFAOYSA-N
XLogP2.60
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.60
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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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(E)-pyridin-3-ylmethylideneamino]butanediamide
CID 35796779
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 25237213
N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide
CID 3591287
N-(4-bromophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 3988560
2-(2-chlorophenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6863841
N-(3,4-dimethylphenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 4039695
N-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide
CID 4022136
N-(2-chlorophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]butanediamide
CID 136670499
N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide
CID 6018184
N-[(Z)-pyridin-3-ylmethylideneamino]decanamide
CID 6008044
2-[[4-amino-5-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
CID 17048544

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide?
The IUPAC name of N-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide (CID 4633351) is N-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide is O=C(CCC(=O)Nc1ccccc1Cl)NN=Cc1cccnc1.
What is the InChIKey of N-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide?
The InChIKey is AUSMRABAQRDXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c17-13-5-1-2-6-14(13)20-15(22)7-8-16(23)21-19-11-12-4-3-9-18-10-12/h1-6,9-11H,7-8H2,(H,20,22)(H,21,23).
What are the key properties of N-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide?
N-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide has a molecular weight of 330.78 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide is sourced from PubChem (CID 4633351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).