ethane;N-[4-(ethylamino)butan-2-yl]formamide;5-fluoro-3-methyl-2-(3-methylphenoxy)pyridine

C22H34FN3O2 — CID 142991813

IUPACethane;N-[4-(ethylamino)butan-2-yl]formamide;5-fluoro-3-methyl-2-(3-methylphenoxy)pyridine
SMILESCC.CCNCCC(C)NC=O.Cc1cccc(Oc2ncc(F)cc2C)c1
InChIInChI=1S/C13H12FNO.C7H16N2O.C2H6/c1-9-4-3-5-12(6-9)16-13-10(2)7-11(14)8-15-13;1-3-8-5-4-7(2)9-6-10;1-2/h3-8H,1-2H3;6-8H,3-5H2,1-2H3,(H,9,10);1-2H3
InChIKeyMRWIIXJHAWCFNA-UHFFFAOYSA-N
MW391.53 g/mol
LogP4.78
Rot. Bonds8

About ethane;N-[4-(ethylamino)butan-2-yl]formamide;5-fluoro-3-methyl-2-(3-methylphenoxy)pyridine

ethane;N-[4-(ethylamino)butan-2-yl]formamide;5-fluoro-3-methyl-2-(3-methylphenoxy)pyridine (PubChem CID 142991813) has the molecular formula C22H34FN3O2 and a molecular weight of 391.53 g/mol. Its IUPAC name is ethane;N-[4-(ethylamino)butan-2-yl]formamide;5-fluoro-3-methyl-2-(3-methylphenoxy)pyridine.

Molecular Properties

Compound Nameethane;N-[4-(ethylamino)butan-2-yl]formamide;5-fluoro-3-methyl-2-(3-methylphenoxy)pyridine
PubChem CID142991813
Molecular FormulaC22H34FN3O2
Molecular Weight391.53 g/mol
Exact Mass391.26
IUPAC Nameethane;N-[4-(ethylamino)butan-2-yl]formamide;5-fluoro-3-methyl-2-(3-methylphenoxy)pyridine
SMILESCC.CCNCCC(C)NC=O.Cc1cccc(Oc2ncc(F)cc2C)c1
InChIInChI=1S/C13H12FNO.C7H16N2O.C2H6/c1-9-4-3-5-12(6-9)16-13-10(2)7-11(14)8-15-13;1-3-8-5-4-7(2)9-6-10;1-2/h3-8H,1-2H3;6-8H,3-5H2,1-2H3,(H,9,10);1-2H3
InChIKeyMRWIIXJHAWCFNA-UHFFFAOYSA-N
XLogP4.78
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.53
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-3-methyl-2-(3-methylphenoxy)pyridine
CID 142991814
1-[5-fluoro-2-(3-methylphenoxy)-3-pyridinyl]ethanone
CID 142274107
N-[[3-fluoro-2-(3-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391179
[5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine
CID 80636065
N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide
CID 119504615
2-[4-[(5-fluoro-3-methyl-2-pyridinyl)oxy]phenoxy]propanoyl chloride
CID 139638456
N-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine
CID 82353109
6-(3,5-difluorophenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631634
5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine
CID 113286019
N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 63942314
5-fluoro-3-methyl-2-propan-2-yloxypyridine
CID 130057948
5-fluoro-2,4-bis(3-methylphenoxy)pyrimidine
CID 679767

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-(ethylamino)butan-2-yl]formamide;5-fluoro-3-methyl-2-(3-methylphenoxy)pyridine?
The IUPAC name of ethane;N-[4-(ethylamino)butan-2-yl]formamide;5-fluoro-3-methyl-2-(3-methylphenoxy)pyridine (CID 142991813) is ethane;N-[4-(ethylamino)butan-2-yl]formamide;5-fluoro-3-methyl-2-(3-methylphenoxy)pyridine.
What is the SMILES notation for ethane;N-[4-(ethylamino)butan-2-yl]formamide;5-fluoro-3-methyl-2-(3-methylphenoxy)pyridine?
The canonical SMILES for ethane;N-[4-(ethylamino)butan-2-yl]formamide;5-fluoro-3-methyl-2-(3-methylphenoxy)pyridine is CC.CCNCCC(C)NC=O.Cc1cccc(Oc2ncc(F)cc2C)c1.
What is the InChIKey of ethane;N-[4-(ethylamino)butan-2-yl]formamide;5-fluoro-3-methyl-2-(3-methylphenoxy)pyridine?
The InChIKey is MRWIIXJHAWCFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO.C7H16N2O.C2H6/c1-9-4-3-5-12(6-9)16-13-10(2)7-11(14)8-15-13;1-3-8-5-4-7(2)9-6-10;1-2/h3-8H,1-2H3;6-8H,3-5H2,1-2H3,(H,9,10);1-2H3.
What are the key properties of ethane;N-[4-(ethylamino)butan-2-yl]formamide;5-fluoro-3-methyl-2-(3-methylphenoxy)pyridine?
ethane;N-[4-(ethylamino)butan-2-yl]formamide;5-fluoro-3-methyl-2-(3-methylphenoxy)pyridine has a molecular weight of 391.53 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-(ethylamino)butan-2-yl]formamide;5-fluoro-3-methyl-2-(3-methylphenoxy)pyridine is sourced from PubChem (CID 142991813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).