1-[2-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine

C24H28ClN5O3 — CID 10256826

IUPAC1-[2-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine
SMILESCOc1ccc2ncc(Cl)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1
InChIInChI=1S/C24H28ClN5O3/c1-31-23-3-2-20-24(29-23)18(19(25)14-28-20)6-9-30-7-4-16(5-8-30)26-13-17-12-21-22(15-27-17)33-11-10-32-21/h2-3,12,14-16,26H,4-11,13H2,1H3
InChIKeyDOZVRJKBMMJUEA-UHFFFAOYSA-N
MW469.97 g/mol
LogP3.25
Rot. Bonds7

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

1-[2-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine (PubChem CID 10256826) has the molecular formula C24H28ClN5O3 and a molecular weight of 469.97 g/mol. Its IUPAC name is 1-[2-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine
PubChem CID10256826
Molecular FormulaC24H28ClN5O3
Molecular Weight469.97 g/mol
Exact Mass469.19
IUPAC Name1-[2-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine
SMILESCOc1ccc2ncc(Cl)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1
InChIInChI=1S/C24H28ClN5O3/c1-31-23-3-2-20-24(29-23)18(19(25)14-28-20)6-9-30-7-4-16(5-8-30)26-13-17-12-21-22(15-27-17)33-11-10-32-21/h2-3,12,14-16,26H,4-11,13H2,1H3
InChIKeyDOZVRJKBMMJUEA-UHFFFAOYSA-N
XLogP3.25
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-[2-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine (CID 10256826) is 1-[2-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-[2-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-[2-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine is COc1ccc2ncc(Cl)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1.
What is the InChIKey of 1-[2-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine?
The InChIKey is DOZVRJKBMMJUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O3/c1-31-23-3-2-20-24(29-23)18(19(25)14-28-20)6-9-30-7-4-16(5-8-30)26-13-17-12-21-22(15-27-17)33-11-10-32-21/h2-3,12,14-16,26H,4-11,13H2,1H3.
What are the key properties of 1-[2-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine?
1-[2-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine has a molecular weight of 469.97 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 10256826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).