5-[(1R)-1-aminobutyl]-8-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-3-amine

C17H24N4O3S — CID 166483908

IUPAC5-[(1R)-1-aminobutyl]-8-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-3-amine
SMILESCCC[C@@H](N)c1cnc(OC2CC(S(C)(=O)=O)C2)c2cnc(N)cc12
InChIInChI=1S/C17H24N4O3S/c1-3-4-15(18)13-8-21-17(14-9-20-16(19)7-12(13)14)24-10-5-11(6-10)25(2,22)23/h7-11,15H,3-6,18H2,1-2H3,(H2,19,20)/t10?,11?,15-/m1/s1
InChIKeyZJRKFMTXLFWZFT-QKFMDRJYSA-N
MW364.47 g/mol
LogP1.97
Rot. Bonds6

About 5-[(1R)-1-aminobutyl]-8-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-3-amine

5-[(1R)-1-aminobutyl]-8-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-3-amine (PubChem CID 166483908) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 5-[(1R)-1-aminobutyl]-8-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-3-amine.

Molecular Properties

Compound Name5-[(1R)-1-aminobutyl]-8-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-3-amine
PubChem CID166483908
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name5-[(1R)-1-aminobutyl]-8-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-3-amine
SMILESCCC[C@@H](N)c1cnc(OC2CC(S(C)(=O)=O)C2)c2cnc(N)cc12
InChIInChI=1S/C17H24N4O3S/c1-3-4-15(18)13-8-21-17(14-9-20-16(19)7-12(13)14)24-10-5-11(6-10)25(2,22)23/h7-11,15H,3-6,18H2,1-2H3,(H2,19,20)/t10?,11?,15-/m1/s1
InChIKeyZJRKFMTXLFWZFT-QKFMDRJYSA-N
XLogP1.97
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(S)-N-[(1S)-1-[6-chloro-1-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-4-yl]butyl]-2-methylpropane-2-sulfinamide
CID 166483423
tert-butyl-[1-[6-chloro-1-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-4-yl]propylamino]-oxidosulfanium
CID 175588956
1-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-1-amine;ethane;methylsulfanylmethane
CID 166483791
1-[6-chloro-1-(1-methylsulfonylazetidin-3-yl)oxy-2,7-naphthyridin-4-yl]propan-1-ol
CID 175552379
4-[(1S)-1-azido-1-cyclopropylethyl]-6-chloro-1-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridine
CID 166483456
4-(1-azido-1-cyclopropylethyl)-6-chloro-1-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridine
CID 166483602
(E)-4-[6-chloro-1-(3-ethylsulfonylcyclobutyl)oxy-2,7-naphthyridin-4-yl]-2-methylbut-3-ene-2-sulfinamide
CID 176597313
(7S,8R)-2-[[5-[(2S)-2-hydroxybutan-2-yl]-8-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166484324
4-(2-azido-1-methoxypropan-2-yl)-6-chloro-1-(3-ethylsulfonylcyclobutyl)oxy-2,7-naphthyridine
CID 175588992
1-[6-chloro-1-(3-methylsulfanylbutoxy)-2,7-naphthyridin-4-yl]propan-1-amine
CID 166483385
(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butan-1-amine
CID 125498053
(7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-[1-[(1S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165117803

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-aminobutyl]-8-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-3-amine?
The IUPAC name of 5-[(1R)-1-aminobutyl]-8-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-3-amine (CID 166483908) is 5-[(1R)-1-aminobutyl]-8-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-3-amine.
What is the SMILES notation for 5-[(1R)-1-aminobutyl]-8-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-3-amine?
The canonical SMILES for 5-[(1R)-1-aminobutyl]-8-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-3-amine is CCC[C@@H](N)c1cnc(OC2CC(S(C)(=O)=O)C2)c2cnc(N)cc12.
What is the InChIKey of 5-[(1R)-1-aminobutyl]-8-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-3-amine?
The InChIKey is ZJRKFMTXLFWZFT-QKFMDRJYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-3-4-15(18)13-8-21-17(14-9-20-16(19)7-12(13)14)24-10-5-11(6-10)25(2,22)23/h7-11,15H,3-6,18H2,1-2H3,(H2,19,20)/t10?,11?,15-/m1/s1.
What are the key properties of 5-[(1R)-1-aminobutyl]-8-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-3-amine?
5-[(1R)-1-aminobutyl]-8-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-3-amine has a molecular weight of 364.47 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-aminobutyl]-8-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-3-amine is sourced from PubChem (CID 166483908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).