N-[(2,6-difluorophenyl)methyl]-5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine

C20H17F2N3O2 — CID 71086597

IUPACN-[(2,6-difluorophenyl)methyl]-5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine
SMILESCc1nc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)OCCO2
InChIInChI=1S/C20H17F2N3O2/c1-12-14(9-18-20(25-12)27-8-7-26-18)13-5-6-19(23-10-13)24-11-15-16(21)3-2-4-17(15)22/h2-6,9-10H,7-8,11H2,1H3,(H,23,24)
InChIKeyXRRKNKZRZSWNFT-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.11
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine

N-[(2,6-difluorophenyl)methyl]-5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine (PubChem CID 71086597) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine
PubChem CID71086597
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC NameN-[(2,6-difluorophenyl)methyl]-5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine
SMILESCc1nc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)OCCO2
InChIInChI=1S/C20H17F2N3O2/c1-12-14(9-18-20(25-12)27-8-7-26-18)13-5-6-19(23-10-13)24-11-15-16(21)3-2-4-17(15)22/h2-6,9-10H,7-8,11H2,1H3,(H,23,24)
InChIKeyXRRKNKZRZSWNFT-UHFFFAOYSA-N
XLogP4.11
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine (CID 71086597) is N-[(2,6-difluorophenyl)methyl]-5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine is Cc1nc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)OCCO2.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine?
The InChIKey is XRRKNKZRZSWNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-12-14(9-18-20(25-12)27-8-7-26-18)13-5-6-19(23-10-13)24-11-15-16(21)3-2-4-17(15)22/h2-6,9-10H,7-8,11H2,1H3,(H,23,24).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine?
N-[(2,6-difluorophenyl)methyl]-5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine has a molecular weight of 369.37 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine is sourced from PubChem (CID 71086597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).