3-chloro-N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine

C15H11ClF3N5O — CID 71577374

IUPAC3-chloro-N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCc1ccc(CNc2ncc(-c3noc(C(F)(F)F)n3)cc2Cl)cn1
InChIInChI=1S/C15H11ClF3N5O/c1-8-2-3-9(5-20-8)6-21-13-11(16)4-10(7-22-13)12-23-14(25-24-12)15(17,18)19/h2-5,7H,6H2,1H3,(H,21,22)
InChIKeyQMZKPCZBIVCDNK-UHFFFAOYSA-N
MW369.73 g/mol
LogP4.12
Rot. Bonds4

About 3-chloro-N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine

3-chloro-N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 71577374) has the molecular formula C15H11ClF3N5O and a molecular weight of 369.73 g/mol. Its IUPAC name is 3-chloro-N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID71577374
Molecular FormulaC15H11ClF3N5O
Molecular Weight369.73 g/mol
Exact Mass369.06
IUPAC Name3-chloro-N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCc1ccc(CNc2ncc(-c3noc(C(F)(F)F)n3)cc2Cl)cn1
InChIInChI=1S/C15H11ClF3N5O/c1-8-2-3-9(5-20-8)6-21-13-11(16)4-10(7-22-13)12-23-14(25-24-12)15(17,18)19/h2-5,7H,6H2,1H3,(H,21,22)
InChIKeyQMZKPCZBIVCDNK-UHFFFAOYSA-N
XLogP4.12
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.73
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 71577374) is 3-chloro-N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is Cc1ccc(CNc2ncc(-c3noc(C(F)(F)F)n3)cc2Cl)cn1.
What is the InChIKey of 3-chloro-N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is QMZKPCZBIVCDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N5O/c1-8-2-3-9(5-20-8)6-21-13-11(16)4-10(7-22-13)12-23-14(25-24-12)15(17,18)19/h2-5,7H,6H2,1H3,(H,21,22).
What are the key properties of 3-chloro-N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
3-chloro-N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 369.73 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 71577374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).