N,N-dimethyl-4-[3-methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine

C18H19F3N2O2 — CID 123616940

IUPACN,N-dimethyl-4-[3-methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine
SMILESCc1cc(C2(N(C)C)CCOc3cccnc32)ccc1OC(F)(F)F
InChIInChI=1S/C18H19F3N2O2/c1-12-11-13(6-7-14(12)25-18(19,20)21)17(23(2)3)8-10-24-15-5-4-9-22-16(15)17/h4-7,9,11H,8,10H2,1-3H3
InChIKeyZUCAUZYEZUGZAI-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.88
Rot. Bonds3

About N,N-dimethyl-4-[3-methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine

N,N-dimethyl-4-[3-methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine (PubChem CID 123616940) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine
PubChem CID123616940
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC NameN,N-dimethyl-4-[3-methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine
SMILESCc1cc(C2(N(C)C)CCOc3cccnc32)ccc1OC(F)(F)F
InChIInChI=1S/C18H19F3N2O2/c1-12-11-13(6-7-14(12)25-18(19,20)21)17(23(2)3)8-10-24-15-5-4-9-22-16(15)17/h4-7,9,11H,8,10H2,1-3H3
InChIKeyZUCAUZYEZUGZAI-UHFFFAOYSA-N
XLogP3.88
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine?
The IUPAC name of N,N-dimethyl-4-[3-methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine (CID 123616940) is N,N-dimethyl-4-[3-methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine.
What is the SMILES notation for N,N-dimethyl-4-[3-methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine?
The canonical SMILES for N,N-dimethyl-4-[3-methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine is Cc1cc(C2(N(C)C)CCOc3cccnc32)ccc1OC(F)(F)F.
What is the InChIKey of N,N-dimethyl-4-[3-methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine?
The InChIKey is ZUCAUZYEZUGZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-12-11-13(6-7-14(12)25-18(19,20)21)17(23(2)3)8-10-24-15-5-4-9-22-16(15)17/h4-7,9,11H,8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[3-methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine?
N,N-dimethyl-4-[3-methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine has a molecular weight of 352.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine is sourced from PubChem (CID 123616940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).