2-(4-chloroanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide

C14H13ClN4O — CID 58897672

IUPAC2-(4-chloroanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
SMILESO=C(CNc1ccc(Cl)cc1)N/N=C/c1ccncc1
InChIInChI=1S/C14H13ClN4O/c15-12-1-3-13(4-2-12)17-10-14(20)19-18-9-11-5-7-16-8-6-11/h1-9,17H,10H2,(H,19,20)/b18-9+
InChIKeyBBDOLYGGPDFTSD-GIJQJNRQSA-N
MW288.74 g/mol
LogP2.30
Rot. Bonds5

About 2-(4-chloroanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide

2-(4-chloroanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide (PubChem CID 58897672) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
PubChem CID58897672
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name2-(4-chloroanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
SMILESO=C(CNc1ccc(Cl)cc1)N/N=C/c1ccncc1
InChIInChI=1S/C14H13ClN4O/c15-12-1-3-13(4-2-12)17-10-14(20)19-18-9-11-5-7-16-8-6-11/h1-9,17H,10H2,(H,19,20)/b18-9+
InChIKeyBBDOLYGGPDFTSD-GIJQJNRQSA-N
XLogP2.30
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.30
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 2-(4-chloroanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-chloroanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide (CID 58897672) is 2-(4-chloroanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-chloroanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide is O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccncc1.
What is the InChIKey of 2-(4-chloroanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide?
The InChIKey is BBDOLYGGPDFTSD-GIJQJNRQSA-N. The full InChI is InChI=1S/C14H13ClN4O/c15-12-1-3-13(4-2-12)17-10-14(20)19-18-9-11-5-7-16-8-6-11/h1-9,17H,10H2,(H,19,20)/b18-9+.
What are the key properties of 2-(4-chloroanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide?
2-(4-chloroanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide has a molecular weight of 288.74 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide is sourced from PubChem (CID 58897672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).