5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine

C9H9FN4O — CID 61311972

IUPAC5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
SMILESCc1noc(CNc2ccc(F)cn2)n1
InChIInChI=1S/C9H9FN4O/c1-6-13-9(15-14-6)5-12-8-3-2-7(10)4-11-8/h2-4H,5H2,1H3,(H,11,12)
InChIKeyFLYFUMRWQZNKOW-UHFFFAOYSA-N
MW208.20 g/mol
LogP1.52
Rot. Bonds3

About 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine

5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine (PubChem CID 61311972) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
PubChem CID61311972
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
SMILESCc1noc(CNc2ccc(F)cn2)n1
InChIInChI=1S/C9H9FN4O/c1-6-13-9(15-14-6)5-12-8-3-2-7(10)4-11-8/h2-4H,5H2,1H3,(H,11,12)
InChIKeyFLYFUMRWQZNKOW-UHFFFAOYSA-N
XLogP1.52
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 54903195
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 62784912
6-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 61015260
5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 62995202
6-N,2-dimethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80813024
2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80813147
6-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 63590936
2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80813986
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 59777410
N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide
CID 133314068
5-fluoro-N-(1,3-thiazol-5-ylmethyl)pyridin-2-amine
CID 115925028

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine (CID 61311972) is 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine is Cc1noc(CNc2ccc(F)cn2)n1.
What is the InChIKey of 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine?
The InChIKey is FLYFUMRWQZNKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c1-6-13-9(15-14-6)5-12-8-3-2-7(10)4-11-8/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine?
5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine has a molecular weight of 208.20 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 61311972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).