ethane;N-(6-fluoro-4-methoxy-3-pyridinyl)propanamide

C11H17FN2O2 — CID 170582954

IUPACethane;N-(6-fluoro-4-methoxy-3-pyridinyl)propanamide
SMILESCC.CCC(=O)Nc1cnc(F)cc1OC
InChIInChI=1S/C9H11FN2O2.C2H6/c1-3-9(13)12-6-5-11-8(10)4-7(6)14-2;1-2/h4-5H,3H2,1-2H3,(H,12,13);1-2H3
InChIKeyPVVATIXARXPCJR-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.60
Rot. Bonds3

About ethane;N-(6-fluoro-4-methoxy-3-pyridinyl)propanamide

ethane;N-(6-fluoro-4-methoxy-3-pyridinyl)propanamide (PubChem CID 170582954) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is ethane;N-(6-fluoro-4-methoxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Nameethane;N-(6-fluoro-4-methoxy-3-pyridinyl)propanamide
PubChem CID170582954
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Nameethane;N-(6-fluoro-4-methoxy-3-pyridinyl)propanamide
SMILESCC.CCC(=O)Nc1cnc(F)cc1OC
InChIInChI=1S/C9H11FN2O2.C2H6/c1-3-9(13)12-6-5-11-8(10)4-7(6)14-2;1-2/h4-5H,3H2,1-2H3,(H,12,13);1-2H3
InChIKeyPVVATIXARXPCJR-UHFFFAOYSA-N
XLogP2.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
N-(2-methoxy-4,5-dimethylphenyl)propanamide
CID 110776816
N-(4-cyclopropyl-2-methoxypyrimidin-5-yl)propanamide
CID 170387996
N-(2-methoxy-4-propan-2-ylphenyl)propanamide
CID 110777573
N-(5-bromo-2-methoxy-3-pyridinyl)propanamide
CID 71304513
N-(5-ethyl-2-methoxyphenyl)propanamide
CID 110777230
N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide
CID 39184528
N-(2,4,5-trifluorophenyl)propanamide
CID 63372836
tert-butyl 3-[(6-fluoro-4-methoxy-3-pyridinyl)carbamoyl]-3-(2-propan-2-ylphenyl)azetidine-1-carboxylate
CID 162720225
N-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 1452755
N-(2-chloro-4-formyl-5-methoxyphenyl)propanamide
CID 87134854
N-(4,5-difluoro-2-methylphenyl)propanamide
CID 154643466

Frequently Asked Questions

What is the IUPAC name of ethane;N-(6-fluoro-4-methoxy-3-pyridinyl)propanamide?
The IUPAC name of ethane;N-(6-fluoro-4-methoxy-3-pyridinyl)propanamide (CID 170582954) is ethane;N-(6-fluoro-4-methoxy-3-pyridinyl)propanamide.
What is the SMILES notation for ethane;N-(6-fluoro-4-methoxy-3-pyridinyl)propanamide?
The canonical SMILES for ethane;N-(6-fluoro-4-methoxy-3-pyridinyl)propanamide is CC.CCC(=O)Nc1cnc(F)cc1OC.
What is the InChIKey of ethane;N-(6-fluoro-4-methoxy-3-pyridinyl)propanamide?
The InChIKey is PVVATIXARXPCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2.C2H6/c1-3-9(13)12-6-5-11-8(10)4-7(6)14-2;1-2/h4-5H,3H2,1-2H3,(H,12,13);1-2H3.
What are the key properties of ethane;N-(6-fluoro-4-methoxy-3-pyridinyl)propanamide?
ethane;N-(6-fluoro-4-methoxy-3-pyridinyl)propanamide has a molecular weight of 228.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(6-fluoro-4-methoxy-3-pyridinyl)propanamide is sourced from PubChem (CID 170582954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).