2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide

C15H12ClF2N3O2 — CID 56805447

IUPAC2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide
SMILESO=C(NCCNC(=O)c1c(F)cccc1F)c1ccnc(Cl)c1
InChIInChI=1S/C15H12ClF2N3O2/c16-12-8-9(4-5-19-12)14(22)20-6-7-21-15(23)13-10(17)2-1-3-11(13)18/h1-5,8H,6-7H2,(H,20,22)(H,21,23)
InChIKeyFYTVJBBBPOTZJI-UHFFFAOYSA-N
MW339.73 g/mol
LogP2.17
Rot. Bonds5

About 2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide

2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide (PubChem CID 56805447) has the molecular formula C15H12ClF2N3O2 and a molecular weight of 339.73 g/mol. Its IUPAC name is 2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide
PubChem CID56805447
Molecular FormulaC15H12ClF2N3O2
Molecular Weight339.73 g/mol
Exact Mass339.06
IUPAC Name2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide
SMILESO=C(NCCNC(=O)c1c(F)cccc1F)c1ccnc(Cl)c1
InChIInChI=1S/C15H12ClF2N3O2/c16-12-8-9(4-5-19-12)14(22)20-6-7-21-15(23)13-10(17)2-1-3-11(13)18/h1-5,8H,6-7H2,(H,20,22)(H,21,23)
InChIKeyFYTVJBBBPOTZJI-UHFFFAOYSA-N
XLogP2.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.73
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 60572102
2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 32695783
2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide
CID 14054594
2-chloro-N-pent-3-ynylpyridine-4-carboxamide
CID 115977384
2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide
CID 111472064
2-chloro-N-(3-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115604079
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide
CID 103767651
2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
CID 103743995
2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide
CID 108537784
3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide
CID 34819338
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 103939725
N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-2,6-difluorobenzamide
CID 56805454

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide (CID 56805447) is 2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide is O=C(NCCNC(=O)c1c(F)cccc1F)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide?
The InChIKey is FYTVJBBBPOTZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3O2/c16-12-8-9(4-5-19-12)14(22)20-6-7-21-15(23)13-10(17)2-1-3-11(13)18/h1-5,8H,6-7H2,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide?
2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide has a molecular weight of 339.73 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 56805447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).