3,6-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-2-carboxamide

C15H13Cl2N3O3 — CID 60571926

IUPAC3,6-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-2-carboxamide
SMILESO=C(NCCNC(=O)c1nc(Cl)ccc1Cl)c1ccccc1O
InChIInChI=1S/C15H13Cl2N3O3/c16-10-5-6-12(17)20-13(10)15(23)19-8-7-18-14(22)9-3-1-2-4-11(9)21/h1-6,21H,7-8H2,(H,18,22)(H,19,23)
InChIKeyDWYGOBDSYCZQRF-UHFFFAOYSA-N
MW354.19 g/mol
LogP2.25
Rot. Bonds5

About 3,6-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-2-carboxamide

3,6-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-2-carboxamide (PubChem CID 60571926) has the molecular formula C15H13Cl2N3O3 and a molecular weight of 354.19 g/mol. Its IUPAC name is 3,6-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-2-carboxamide
PubChem CID60571926
Molecular FormulaC15H13Cl2N3O3
Molecular Weight354.19 g/mol
Exact Mass353.03
IUPAC Name3,6-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-2-carboxamide
SMILESO=C(NCCNC(=O)c1nc(Cl)ccc1Cl)c1ccccc1O
InChIInChI=1S/C15H13Cl2N3O3/c16-10-5-6-12(17)20-13(10)15(23)19-8-7-18-14(22)9-3-1-2-4-11(9)21/h1-6,21H,7-8H2,(H,18,22)(H,19,23)
InChIKeyDWYGOBDSYCZQRF-UHFFFAOYSA-N
XLogP2.25
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-2-carboxamide (CID 60571926) is 3,6-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-2-carboxamide is O=C(NCCNC(=O)c1nc(Cl)ccc1Cl)c1ccccc1O.
What is the InChIKey of 3,6-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-2-carboxamide?
The InChIKey is DWYGOBDSYCZQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O3/c16-10-5-6-12(17)20-13(10)15(23)19-8-7-18-14(22)9-3-1-2-4-11(9)21/h1-6,21H,7-8H2,(H,18,22)(H,19,23).
What are the key properties of 3,6-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-2-carboxamide?
3,6-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-2-carboxamide has a molecular weight of 354.19 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 60571926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).