2-[6-methyl-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine

C17H23N3O — CID 166663963

IUPAC2-[6-methyl-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine
SMILESCCC(C)(N)c1cnc(OC2(C)CC2)c2cnc(C)cc12
InChIInChI=1S/C17H23N3O/c1-5-17(4,18)14-10-20-15(21-16(3)6-7-16)13-9-19-11(2)8-12(13)14/h8-10H,5-7,18H2,1-4H3
InChIKeyWUUNWCIMXWTOSE-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.45
Rot. Bonds4

About 2-[6-methyl-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine

2-[6-methyl-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine (PubChem CID 166663963) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[6-methyl-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine.

Molecular Properties

Compound Name2-[6-methyl-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine
PubChem CID166663963
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[6-methyl-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine
SMILESCCC(C)(N)c1cnc(OC2(C)CC2)c2cnc(C)cc12
InChIInChI=1S/C17H23N3O/c1-5-17(4,18)14-10-20-15(21-16(3)6-7-16)13-9-19-11(2)8-12(13)14/h8-10H,5-7,18H2,1-4H3
InChIKeyWUUNWCIMXWTOSE-UHFFFAOYSA-N
XLogP3.45
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine?
The IUPAC name of 2-[6-methyl-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine (CID 166663963) is 2-[6-methyl-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine.
What is the SMILES notation for 2-[6-methyl-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine?
The canonical SMILES for 2-[6-methyl-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine is CCC(C)(N)c1cnc(OC2(C)CC2)c2cnc(C)cc12.
What is the InChIKey of 2-[6-methyl-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine?
The InChIKey is WUUNWCIMXWTOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-17(4,18)14-10-20-15(21-16(3)6-7-16)13-9-19-11(2)8-12(13)14/h8-10H,5-7,18H2,1-4H3.
What are the key properties of 2-[6-methyl-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine?
2-[6-methyl-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine is sourced from PubChem (CID 166663963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).