N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine

C13H14F4N4O2 — CID 96531382

IUPACN-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine
SMILESCc1nnc([C@H](C)Nc2ccc(OCC(F)(F)C(F)F)nc2)o1
InChIInChI=1S/C13H14F4N4O2/c1-7(11-21-20-8(2)23-11)19-9-3-4-10(18-5-9)22-6-13(16,17)12(14)15/h3-5,7,12,19H,6H2,1-2H3/t7-/m0/s1
InChIKeyHBTAGZQNLDYMNS-ZETCQYMHSA-N
MW334.27 g/mol
LogP3.23
Rot. Bonds7

About N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine

N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine (PubChem CID 96531382) has the molecular formula C13H14F4N4O2 and a molecular weight of 334.27 g/mol. Its IUPAC name is N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine
PubChem CID96531382
Molecular FormulaC13H14F4N4O2
Molecular Weight334.27 g/mol
Exact Mass334.11
IUPAC NameN-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine
SMILESCc1nnc([C@H](C)Nc2ccc(OCC(F)(F)C(F)F)nc2)o1
InChIInChI=1S/C13H14F4N4O2/c1-7(11-21-20-8(2)23-11)19-9-3-4-10(18-5-9)22-6-13(16,17)12(14)15/h3-5,7,12,19H,6H2,1-2H3/t7-/m0/s1
InChIKeyHBTAGZQNLDYMNS-ZETCQYMHSA-N
XLogP3.23
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-carbamoyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]propanamide
CID 95322424
N-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)aniline
CID 96531145
2-amino-2-(4-methylphenyl)-N-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]acetamide
CID 120670168
2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid
CID 120822574
N-[1-(1,3-thiazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 115922153
(3R,5S)-5-methyl-3-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]oxolan-2-one
CID 96531386
(3S,5R)-5-methyl-3-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]oxolan-2-one
CID 96531383
2-hydroxy-2-methyl-3-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoylamino]propanoic acid
CID 122079511
N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677189
2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120977260
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide
CID 62998761
N-[1-(4-bromothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 107353984

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine?
The IUPAC name of N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine (CID 96531382) is N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine.
What is the SMILES notation for N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine?
The canonical SMILES for N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine is Cc1nnc([C@H](C)Nc2ccc(OCC(F)(F)C(F)F)nc2)o1.
What is the InChIKey of N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine?
The InChIKey is HBTAGZQNLDYMNS-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H14F4N4O2/c1-7(11-21-20-8(2)23-11)19-9-3-4-10(18-5-9)22-6-13(16,17)12(14)15/h3-5,7,12,19H,6H2,1-2H3/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine?
N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine has a molecular weight of 334.27 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine is sourced from PubChem (CID 96531382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).