N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-5-fluoro-2-hydroxybenzamide

C15H13FN4O2 — CID 146091592

IUPACN-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-5-fluoro-2-hydroxybenzamide
SMILESN#Cc1ccc(NCCNC(=O)c2cc(F)ccc2O)nc1
InChIInChI=1S/C15H13FN4O2/c16-11-2-3-13(21)12(7-11)15(22)19-6-5-18-14-4-1-10(8-17)9-20-14/h1-4,7,9,21H,5-6H2,(H,18,20)(H,19,22)
InChIKeyAXEVGHOBXWQQBZ-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.64
Rot. Bonds5

About N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-5-fluoro-2-hydroxybenzamide

N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-5-fluoro-2-hydroxybenzamide (PubChem CID 146091592) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-5-fluoro-2-hydroxybenzamide
PubChem CID146091592
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC NameN-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-5-fluoro-2-hydroxybenzamide
SMILESN#Cc1ccc(NCCNC(=O)c2cc(F)ccc2O)nc1
InChIInChI=1S/C15H13FN4O2/c16-11-2-3-13(21)12(7-11)15(22)19-6-5-18-14-4-1-10(8-17)9-20-14/h1-4,7,9,21H,5-6H2,(H,18,20)(H,19,22)
InChIKeyAXEVGHOBXWQQBZ-UHFFFAOYSA-N
XLogP1.64
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile
CID 133302426
5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 67742481
5-fluoro-2-hydroxy-N-(2-phenoxyethyl)benzamide
CID 79532175
6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile
CID 133294986
5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide
CID 106843460
6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile
CID 70343808
6-[2-(2-cyano-3-fluoroanilino)ethylamino]pyridine-3-carbonitrile
CID 47030143
1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
CID 121004595
2-[(5-cyano-2-pyridinyl)amino]ethanesulfonamide
CID 43552431
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
N-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
6-[2-(2-fluorophenyl)ethylamino]pyridine-3-carbonitrile
CID 24694772

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-5-fluoro-2-hydroxybenzamide (CID 146091592) is N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-5-fluoro-2-hydroxybenzamide is N#Cc1ccc(NCCNC(=O)c2cc(F)ccc2O)nc1.
What is the InChIKey of N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-5-fluoro-2-hydroxybenzamide?
The InChIKey is AXEVGHOBXWQQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c16-11-2-3-13(21)12(7-11)15(22)19-6-5-18-14-4-1-10(8-17)9-20-14/h1-4,7,9,21H,5-6H2,(H,18,20)(H,19,22).
What are the key properties of N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-5-fluoro-2-hydroxybenzamide?
N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-5-fluoro-2-hydroxybenzamide has a molecular weight of 300.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 146091592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).