N-[(3,4-difluorophenyl)methyl]-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine

C22H22F3N3O3 — CID 146503160

IUPACN-[(3,4-difluorophenyl)methyl]-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine
SMILESCOc1ccc2ncc(F)c(CCC3OCC(NCc4ccc(F)c(F)c4)CO3)c2n1
InChIInChI=1S/C22H22F3N3O3/c1-29-20-6-5-19-22(28-20)15(18(25)10-27-19)3-7-21-30-11-14(12-31-21)26-9-13-2-4-16(23)17(24)8-13/h2,4-6,8,10,14,21,26H,3,7,9,11-12H2,1H3
InChIKeySKDGCCJSARGWEN-UHFFFAOYSA-N
MW433.43 g/mol
LogP3.52
Rot. Bonds7

About N-[(3,4-difluorophenyl)methyl]-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine

N-[(3,4-difluorophenyl)methyl]-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine (PubChem CID 146503160) has the molecular formula C22H22F3N3O3 and a molecular weight of 433.43 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine
PubChem CID146503160
Molecular FormulaC22H22F3N3O3
Molecular Weight433.43 g/mol
Exact Mass433.16
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine
SMILESCOc1ccc2ncc(F)c(CCC3OCC(NCc4ccc(F)c(F)c4)CO3)c2n1
InChIInChI=1S/C22H22F3N3O3/c1-29-20-6-5-19-22(28-20)15(18(25)10-27-19)3-7-21-30-11-14(12-31-21)26-9-13-2-4-16(23)17(24)8-13/h2,4-6,8,10,14,21,26H,3,7,9,11-12H2,1H3
InChIKeySKDGCCJSARGWEN-UHFFFAOYSA-N
XLogP3.52
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine
CID 146503167
(1S)-1-[5-([1,3]dioxolo[4,5-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 164628477
8-[2-[5-[4-(3,4-dichlorophenyl)triazol-1-yl]-1,3-dioxan-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
CID 177226934
7-fluoro-2-methoxy-8-(2-phenylethyl)-1,5-naphthyridine
CID 141180436
8-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
CID 143269696
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine;hydrochloride
CID 10097081
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
6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-amine
CID 141165400
(1S)-2,2-dideuterio-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 88545619
(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-[(naphthalen-2-ylmethylamino)methyl]pyrrolidin-3-ol
CID 44530217
7-fluoro-2-methoxy-8-[2-(oxiran-2-yl)ethyl]quinoline
CID 86640611
4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]bicyclo[2.2.1]heptan-1-amine
CID 71152906

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine (CID 146503160) is N-[(3,4-difluorophenyl)methyl]-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine is COc1ccc2ncc(F)c(CCC3OCC(NCc4ccc(F)c(F)c4)CO3)c2n1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine?
The InChIKey is SKDGCCJSARGWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3/c1-29-20-6-5-19-22(28-20)15(18(25)10-27-19)3-7-21-30-11-14(12-31-21)26-9-13-2-4-16(23)17(24)8-13/h2,4-6,8,10,14,21,26H,3,7,9,11-12H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine?
N-[(3,4-difluorophenyl)methyl]-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine has a molecular weight of 433.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine is sourced from PubChem (CID 146503160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).