(1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]bicyclo[3.1.0]hexan-3-amine

C25H27N3O4 — CID 11654956

IUPAC(1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]bicyclo[3.1.0]hexan-3-amine
SMILESCOc1ccc2nccc(OCC3[C@H]4CC(NCc5ccc6c(c5)OCCO6)C[C@@H]34)c2n1
InChIInChI=1S/C25H27N3O4/c1-29-24-5-3-20-25(28-24)22(6-7-26-20)32-14-19-17-11-16(12-18(17)19)27-13-15-2-4-21-23(10-15)31-9-8-30-21/h2-7,10,16-19,27H,8-9,11-14H2,1H3/t16?,17-,18+,19?
InChIKeyLZNVNMVDTRJNKM-FXSDRFNOSA-N
MW433.51 g/mol
LogP3.60
Rot. Bonds7

About (1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]bicyclo[3.1.0]hexan-3-amine

(1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]bicyclo[3.1.0]hexan-3-amine (PubChem CID 11654956) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is (1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]bicyclo[3.1.0]hexan-3-amine.

Molecular Properties

Compound Name(1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]bicyclo[3.1.0]hexan-3-amine
PubChem CID11654956
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name(1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]bicyclo[3.1.0]hexan-3-amine
SMILESCOc1ccc2nccc(OCC3[C@H]4CC(NCc5ccc6c(c5)OCCO6)C[C@@H]34)c2n1
InChIInChI=1S/C25H27N3O4/c1-29-24-5-3-20-25(28-24)22(6-7-26-20)32-14-19-17-11-16(12-18(17)19)27-13-15-2-4-21-23(10-15)31-9-8-30-21/h2-7,10,16-19,27H,8-9,11-14H2,1H3/t16?,17-,18+,19?
InChIKeyLZNVNMVDTRJNKM-FXSDRFNOSA-N
XLogP3.60
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]bicyclo[3.1.0]hexan-3-amine with MolForge

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Launch Full Analysis

Related Compounds

6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 11626868
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 91800757
4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
CID 10343587
8-(cyclohexylmethoxy)-2-methoxy-1,5-naphthyridine
CID 142884547
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]-1,3-dioxan-5-amine
CID 146503168
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane
CID 142837750
(1R)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 10297708
2-[3-(2,1,3-benzoxadiazol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 58989677
N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid
CID 69378082
(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 25095671
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoxymethyl]-1,3-oxazolidin-2-one
CID 66736965
(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoxymethyl]-1,3-oxazolidin-2-one
CID 66737488

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]bicyclo[3.1.0]hexan-3-amine?
The IUPAC name of (1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]bicyclo[3.1.0]hexan-3-amine (CID 11654956) is (1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]bicyclo[3.1.0]hexan-3-amine.
What is the SMILES notation for (1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]bicyclo[3.1.0]hexan-3-amine?
The canonical SMILES for (1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]bicyclo[3.1.0]hexan-3-amine is COc1ccc2nccc(OCC3[C@H]4CC(NCc5ccc6c(c5)OCCO6)C[C@@H]34)c2n1.
What is the InChIKey of (1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]bicyclo[3.1.0]hexan-3-amine?
The InChIKey is LZNVNMVDTRJNKM-FXSDRFNOSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-29-24-5-3-20-25(28-24)22(6-7-26-20)32-14-19-17-11-16(12-18(17)19)27-13-15-2-4-21-23(10-15)31-9-8-30-21/h2-7,10,16-19,27H,8-9,11-14H2,1H3/t16?,17-,18+,19?.
What are the key properties of (1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]bicyclo[3.1.0]hexan-3-amine?
(1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]bicyclo[3.1.0]hexan-3-amine has a molecular weight of 433.51 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]bicyclo[3.1.0]hexan-3-amine is sourced from PubChem (CID 11654956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).