N-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide

C11H13FN2O2 — CID 169465531

IUPACN-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide
SMILESCOc1ncc(F)cc1C=CCNC(C)=O
InChIInChI=1S/C11H13FN2O2/c1-8(15)13-5-3-4-9-6-10(12)7-14-11(9)16-2/h3-4,6-7H,5H2,1-2H3,(H,13,15)
InChIKeyPGJAXITWBZCANG-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.38
Rot. Bonds4

About N-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide

N-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide (PubChem CID 169465531) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is N-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide
PubChem CID169465531
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC NameN-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide
SMILESCOc1ncc(F)cc1C=CCNC(C)=O
InChIInChI=1S/C11H13FN2O2/c1-8(15)13-5-3-4-9-6-10(12)7-14-11(9)16-2/h3-4,6-7H,5H2,1-2H3,(H,13,15)
InChIKeyPGJAXITWBZCANG-UHFFFAOYSA-N
XLogP1.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
CID 169466073
tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)but-3-enyl]carbamate
CID 170490540
3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-en-1-amine
CID 169463640
N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide
CID 169465538
4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495839
methyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate
CID 169479055
4-(5-fluoro-2-methoxy-3-pyridinyl)but-3-ene-1-thiol
CID 170478403
N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]acetamide
CID 169464899
N-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide
CID 169466749
N-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide
CID 169465064
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide (CID 169465531) is N-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide is COc1ncc(F)cc1C=CCNC(C)=O.
What is the InChIKey of N-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide?
The InChIKey is PGJAXITWBZCANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-8(15)13-5-3-4-9-6-10(12)7-14-11(9)16-2/h3-4,6-7H,5H2,1-2H3,(H,13,15).
What are the key properties of N-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide?
N-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide has a molecular weight of 224.23 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).