3-aminopropane-1,2-diol;N-(2-fluoro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)pyridin-3-amine

C17H20FN5O3 — CID 143567494

IUPAC3-aminopropane-1,2-diol;N-(2-fluoro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)pyridin-3-amine
SMILESCc1ccc(Nc2cnccc2-c2nnco2)c(F)c1.NCC(O)CO
InChIInChI=1S/C14H11FN4O.C3H9NO2/c1-9-2-3-12(11(15)6-9)18-13-7-16-5-4-10(13)14-19-17-8-20-14;4-1-3(6)2-5/h2-8,18H,1H3;3,5-6H,1-2,4H2
InChIKeyNHEAJNUXLJVAPK-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.62
Rot. Bonds5

About 3-aminopropane-1,2-diol;N-(2-fluoro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)pyridin-3-amine

3-aminopropane-1,2-diol;N-(2-fluoro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)pyridin-3-amine (PubChem CID 143567494) has the molecular formula C17H20FN5O3 and a molecular weight of 361.38 g/mol. Its IUPAC name is 3-aminopropane-1,2-diol;N-(2-fluoro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name3-aminopropane-1,2-diol;N-(2-fluoro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)pyridin-3-amine
PubChem CID143567494
Molecular FormulaC17H20FN5O3
Molecular Weight361.38 g/mol
Exact Mass361.16
IUPAC Name3-aminopropane-1,2-diol;N-(2-fluoro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)pyridin-3-amine
SMILESCc1ccc(Nc2cnccc2-c2nnco2)c(F)c1.NCC(O)CO
InChIInChI=1S/C14H11FN4O.C3H9NO2/c1-9-2-3-12(11(15)6-9)18-13-7-16-5-4-10(13)14-19-17-8-20-14;4-1-3(6)2-5/h2-8,18H,1H3;3,5-6H,1-2,4H2
InChIKeyNHEAJNUXLJVAPK-UHFFFAOYSA-N
XLogP1.62
TPSA130.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-aminopropane-1,2-diol;N-(2-fluoro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)pyridin-3-amine with MolForge

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Related Compounds

methyl 2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]acetate
CID 143567541
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]-methylamino]propanoic acid
CID 143567491
3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide
CID 143220406
N-(2,3-dihydroxypropyl)-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;ethane
CID 143636219
4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
CID 169174678
ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile
CID 176938978
2-[(2S)-2,3-dihydroxypropyl]-8-(2-fluoro-4-methylanilino)-2,6-naphthyridin-1-one
CID 163456255
4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
CID 169174690
[5-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]carbamic acid
CID 141187122
ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol
CID 143636167
4-[(Z)-1-amino-2-hydrazinylethenyl]-N-(2-fluoro-5-methylphenyl)pyridin-3-amine
CID 167104533

Frequently Asked Questions

What is the IUPAC name of 3-aminopropane-1,2-diol;N-(2-fluoro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)pyridin-3-amine?
The IUPAC name of 3-aminopropane-1,2-diol;N-(2-fluoro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)pyridin-3-amine (CID 143567494) is 3-aminopropane-1,2-diol;N-(2-fluoro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)pyridin-3-amine.
What is the SMILES notation for 3-aminopropane-1,2-diol;N-(2-fluoro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)pyridin-3-amine?
The canonical SMILES for 3-aminopropane-1,2-diol;N-(2-fluoro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)pyridin-3-amine is Cc1ccc(Nc2cnccc2-c2nnco2)c(F)c1.NCC(O)CO.
What is the InChIKey of 3-aminopropane-1,2-diol;N-(2-fluoro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)pyridin-3-amine?
The InChIKey is NHEAJNUXLJVAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O.C3H9NO2/c1-9-2-3-12(11(15)6-9)18-13-7-16-5-4-10(13)14-19-17-8-20-14;4-1-3(6)2-5/h2-8,18H,1H3;3,5-6H,1-2,4H2.
What are the key properties of 3-aminopropane-1,2-diol;N-(2-fluoro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)pyridin-3-amine?
3-aminopropane-1,2-diol;N-(2-fluoro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)pyridin-3-amine has a molecular weight of 361.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropane-1,2-diol;N-(2-fluoro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)pyridin-3-amine is sourced from PubChem (CID 143567494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).