N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide

C16H14F3N3O4S — CID 55690188

IUPACN-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1cccnc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3O4S/c17-16(18,19)27(25,26)13-5-3-11(4-6-13)14(23)21-8-9-22-15(24)12-2-1-7-20-10-12/h1-7,10H,8-9H2,(H,21,23)(H,22,24)
InChIKeyONIVUDKPCGXSNE-UHFFFAOYSA-N
MW401.37 g/mol
LogP1.53
Rot. Bonds6

About N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide

N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 55690188) has the molecular formula C16H14F3N3O4S and a molecular weight of 401.37 g/mol. Its IUPAC name is N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide
PubChem CID55690188
Molecular FormulaC16H14F3N3O4S
Molecular Weight401.37 g/mol
Exact Mass401.07
IUPAC NameN-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1cccnc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3O4S/c17-16(18,19)27(25,26)13-5-3-11(4-6-13)14(23)21-8-9-22-15(24)12-2-1-7-20-10-12/h1-7,10H,8-9H2,(H,21,23)(H,22,24)
InChIKeyONIVUDKPCGXSNE-UHFFFAOYSA-N
XLogP1.53
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide
CID 55880093
N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
CID 139199292
N-[2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]ethyl]pyridine-3-carboxamide
CID 133373984
potassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate
CID 25072807
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide
CID 39698057
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 56545663
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide (CID 55690188) is N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide is O=C(NCCNC(=O)c1cccnc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is ONIVUDKPCGXSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O4S/c17-16(18,19)27(25,26)13-5-3-11(4-6-13)14(23)21-8-9-22-15(24)12-2-1-7-20-10-12/h1-7,10H,8-9H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide?
N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 401.37 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 55690188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).