N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethanamine;hydrochloride

C24H30ClN5O3 — CID 44525837

IUPACN-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethanamine;hydrochloride
SMILESCOc1ccc2nccc(N3CCC(CCNCc4cc5c(cn4)OCCO5)CC3)c2n1.Cl
InChIInChI=1S/C24H29N5O3.ClH/c1-30-23-3-2-19-24(28-23)20(5-9-26-19)29-10-6-17(7-11-29)4-8-25-15-18-14-21-22(16-27-18)32-13-12-31-21;/h2-3,5,9,14,16-17,25H,4,6-8,10-13,15H2,1H3;1H
InChIKeyOPEKHWPMAIJJLY-UHFFFAOYSA-N
MW471.99 g/mol
LogP3.62
Rot. Bonds7

About N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethanamine;hydrochloride

N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethanamine;hydrochloride (PubChem CID 44525837) has the molecular formula C24H30ClN5O3 and a molecular weight of 471.99 g/mol. Its IUPAC name is N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethanamine;hydrochloride
PubChem CID44525837
Molecular FormulaC24H30ClN5O3
Molecular Weight471.99 g/mol
Exact Mass471.20
IUPAC NameN-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethanamine;hydrochloride
SMILESCOc1ccc2nccc(N3CCC(CCNCc4cc5c(cn4)OCCO5)CC3)c2n1.Cl
InChIInChI=1S/C24H29N5O3.ClH/c1-30-23-3-2-19-24(28-23)20(5-9-26-19)29-10-6-17(7-11-29)4-8-25-15-18-14-21-22(16-27-18)32-13-12-31-21;/h2-3,5,9,14,16-17,25H,4,6-8,10-13,15H2,1H3;1H
InChIKeyOPEKHWPMAIJJLY-UHFFFAOYSA-N
XLogP3.62
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethanamine;hydrochloride (CID 44525837) is N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethanamine;hydrochloride is COc1ccc2nccc(N3CCC(CCNCc4cc5c(cn4)OCCO5)CC3)c2n1.Cl.
What is the InChIKey of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is OPEKHWPMAIJJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3.ClH/c1-30-23-3-2-19-24(28-23)20(5-9-26-19)29-10-6-17(7-11-29)4-8-25-15-18-14-21-22(16-27-18)32-13-12-31-21;/h2-3,5,9,14,16-17,25H,4,6-8,10-13,15H2,1H3;1H.
What are the key properties of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethanamine;hydrochloride?
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 471.99 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 44525837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).