N-[5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-2-pyridinyl]acetamide

C15H11F2N3O — CID 134260585

IUPACN-[5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(C#Cc2c(F)ccc(N)c2F)cn1
InChIInChI=1S/C15H11F2N3O/c1-9(21)20-14-7-3-10(8-19-14)2-4-11-12(16)5-6-13(18)15(11)17/h3,5-8H,18H2,1H3,(H,19,20,21)
InChIKeyCGTCROLKAMRMCO-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.30
Rot. Bonds1

About N-[5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-2-pyridinyl]acetamide

N-[5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-2-pyridinyl]acetamide (PubChem CID 134260585) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is N-[5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-2-pyridinyl]acetamide
PubChem CID134260585
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC NameN-[5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(C#Cc2c(F)ccc(N)c2F)cn1
InChIInChI=1S/C15H11F2N3O/c1-9(21)20-14-7-3-10(8-19-14)2-4-11-12(16)5-6-13(18)15(11)17/h3,5-8H,18H2,1H3,(H,19,20,21)
InChIKeyCGTCROLKAMRMCO-UHFFFAOYSA-N
XLogP2.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(1-ethylpyrazolo[4,5-b]pyridin-6-yl)ethynyl]-2,4-difluoroaniline
CID 171465908
3-[(E)-3-ethyl-4-(methylamino)pent-3-en-1-ynyl]-2,4-difluoroaniline
CID 138718942
N-[5-(2-phenylethynyl)-2-pyridinyl]butanamide
CID 71548245
3-[2-amino-6-methyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-4-yl]-4-fluorobenzonitrile
CID 58513505
N-(5-sulfanyl-2-pyridinyl)acetamide
CID 67482224
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
2-methyl-N-[5-(2-phenylethynyl)-2-pyridinyl]butanamide
CID 151921364
2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide
CID 144725411
N-[5-(2-hydroxyacetyl)-2-pyridinyl]acetamide
CID 15512450
N-(5-amino-6-methyl-2-pyridinyl)-2,3,4-trifluorobenzamide
CID 82330987
4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481834
tert-butyl N-(5-prop-1-ynyl-2-pyridinyl)carbamate
CID 174419990

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-2-pyridinyl]acetamide (CID 134260585) is N-[5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(C#Cc2c(F)ccc(N)c2F)cn1.
What is the InChIKey of N-[5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-2-pyridinyl]acetamide?
The InChIKey is CGTCROLKAMRMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c1-9(21)20-14-7-3-10(8-19-14)2-4-11-12(16)5-6-13(18)15(11)17/h3,5-8H,18H2,1H3,(H,19,20,21).
What are the key properties of N-[5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-2-pyridinyl]acetamide?
N-[5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-2-pyridinyl]acetamide has a molecular weight of 287.27 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 134260585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).