N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]pyridine-2-carboxamide

C15H13Cl2N3O2 — CID 2991064

IUPACN-[2-[(2,4-dichlorobenzoyl)amino]ethyl]pyridine-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)cc1Cl)c1ccccn1
InChIInChI=1S/C15H13Cl2N3O2/c16-10-4-5-11(12(17)9-10)14(21)19-7-8-20-15(22)13-3-1-2-6-18-13/h1-6,9H,7-8H2,(H,19,21)(H,20,22)
InChIKeyDBFZPIPQNOBWEZ-UHFFFAOYSA-N
MW338.19 g/mol
LogP2.55
Rot. Bonds5

About N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]pyridine-2-carboxamide

N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]pyridine-2-carboxamide (PubChem CID 2991064) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorobenzoyl)amino]ethyl]pyridine-2-carboxamide
PubChem CID2991064
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC NameN-[2-[(2,4-dichlorobenzoyl)amino]ethyl]pyridine-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)cc1Cl)c1ccccn1
InChIInChI=1S/C15H13Cl2N3O2/c16-10-4-5-11(12(17)9-10)14(21)19-7-8-20-15(22)13-3-1-2-6-18-13/h1-6,9H,7-8H2,(H,19,21)(H,20,22)
InChIKeyDBFZPIPQNOBWEZ-UHFFFAOYSA-N
XLogP2.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]pyridine-2-carboxamide (CID 2991064) is N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]pyridine-2-carboxamide is O=C(NCCNC(=O)c1ccc(Cl)cc1Cl)c1ccccn1.
What is the InChIKey of N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]pyridine-2-carboxamide?
The InChIKey is DBFZPIPQNOBWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2/c16-10-4-5-11(12(17)9-10)14(21)19-7-8-20-15(22)13-3-1-2-6-18-13/h1-6,9H,7-8H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]pyridine-2-carboxamide?
N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]pyridine-2-carboxamide has a molecular weight of 338.19 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 2991064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).