4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile;hydrochloride

C25H29ClN6O3 — CID 44528579

IUPAC4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile;hydrochloride
SMILESCOc1ccc2ncc(C#N)c(CCN3CCC(NCc4cnc5c(c4)OCCO5)CC3)c2n1.Cl
InChIInChI=1S/C25H28N6O3.ClH/c1-32-23-3-2-21-24(30-23)20(18(13-26)16-28-21)6-9-31-7-4-19(5-8-31)27-14-17-12-22-25(29-15-17)34-11-10-33-22;/h2-3,12,15-16,19,27H,4-11,14H2,1H3;1H
InChIKeyDBRLGDNJIRXIIV-UHFFFAOYSA-N
MW497.00 g/mol
LogP2.89
Rot. Bonds7

About 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile;hydrochloride

4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile;hydrochloride (PubChem CID 44528579) has the molecular formula C25H29ClN6O3 and a molecular weight of 497.00 g/mol. Its IUPAC name is 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile;hydrochloride
PubChem CID44528579
Molecular FormulaC25H29ClN6O3
Molecular Weight497.00 g/mol
Exact Mass496.20
IUPAC Name4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile;hydrochloride
SMILESCOc1ccc2ncc(C#N)c(CCN3CCC(NCc4cnc5c(c4)OCCO5)CC3)c2n1.Cl
InChIInChI=1S/C25H28N6O3.ClH/c1-32-23-3-2-21-24(30-23)20(18(13-26)16-28-21)6-9-31-7-4-19(5-8-31)27-14-17-12-22-25(29-15-17)34-11-10-33-22;/h2-3,12,15-16,19,27H,4-11,14H2,1H3;1H
InChIKeyDBRLGDNJIRXIIV-UHFFFAOYSA-N
XLogP2.89
TPSA105.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.00
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile;hydrochloride (CID 44528579) is 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile;hydrochloride is COc1ccc2ncc(C#N)c(CCN3CCC(NCc4cnc5c(c4)OCCO5)CC3)c2n1.Cl.
What is the InChIKey of 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile;hydrochloride?
The InChIKey is DBRLGDNJIRXIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3.ClH/c1-32-23-3-2-21-24(30-23)20(18(13-26)16-28-21)6-9-31-7-4-19(5-8-31)27-14-17-12-22-25(29-15-17)34-11-10-33-22;/h2-3,12,15-16,19,27H,4-11,14H2,1H3;1H.
What are the key properties of 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile;hydrochloride?
4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile;hydrochloride has a molecular weight of 497.00 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 44528579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).