N-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine

C22H23N3O2 — CID 66547453

IUPACN-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1ccc([C@H]2COc3cccnc3O2)cc1
InChIInChI=1S/C22H23N3O2/c1-25(14-11-19-5-2-3-12-23-19)15-17-7-9-18(10-8-17)21-16-26-20-6-4-13-24-22(20)27-21/h2-10,12-13,21H,11,14-16H2,1H3/t21-/m1/s1
InChIKeyVDSZUUVUSUWIDX-OAQYLSRUSA-N
MW361.45 g/mol
LogP3.66
Rot. Bonds6

About N-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine

N-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine (PubChem CID 66547453) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine
PubChem CID66547453
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1ccc([C@H]2COc3cccnc3O2)cc1
InChIInChI=1S/C22H23N3O2/c1-25(14-11-19-5-2-3-12-23-19)15-17-7-9-18(10-8-17)21-16-26-20-6-4-13-24-22(20)27-21/h2-10,12-13,21H,11,14-16H2,1H3/t21-/m1/s1
InChIKeyVDSZUUVUSUWIDX-OAQYLSRUSA-N
XLogP3.66
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine?
The IUPAC name of N-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine (CID 66547453) is N-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine is CN(CCc1ccccn1)Cc1ccc([C@H]2COc3cccnc3O2)cc1.
What is the InChIKey of N-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine?
The InChIKey is VDSZUUVUSUWIDX-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-25(14-11-19-5-2-3-12-23-19)15-17-7-9-18(10-8-17)21-16-26-20-6-4-13-24-22(20)27-21/h2-10,12-13,21H,11,14-16H2,1H3/t21-/m1/s1.
What are the key properties of N-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine?
N-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine has a molecular weight of 361.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 66547453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).