1-(4-amino-2-butyl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol

C16H25N3O — CID 22172669

IUPAC1-(4-amino-2-butyl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol
SMILESCCCCC1=CC(N)=C2NC=CC=C2N1CC(C)(C)O
InChIInChI=1S/C16H25N3O/c1-4-5-7-12-10-13(17)15-14(8-6-9-18-15)19(12)11-16(2,3)20/h6,8-10,18,20H,4-5,7,11,17H2,1-3H3
InChIKeyYGCGKRSQKGJNIY-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.32
Rot. Bonds5

About 1-(4-amino-2-butyl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol

1-(4-amino-2-butyl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol (PubChem CID 22172669) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(4-amino-2-butyl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-amino-2-butyl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol
PubChem CID22172669
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(4-amino-2-butyl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol
SMILESCCCCC1=CC(N)=C2NC=CC=C2N1CC(C)(C)O
InChIInChI=1S/C16H25N3O/c1-4-5-7-12-10-13(17)15-14(8-6-9-18-15)19(12)11-16(2,3)20/h6,8-10,18,20H,4-5,7,11,17H2,1-3H3
InChIKeyYGCGKRSQKGJNIY-UHFFFAOYSA-N
XLogP2.32
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-butyl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-amino-2-butyl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol (CID 22172669) is 1-(4-amino-2-butyl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-amino-2-butyl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-amino-2-butyl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol is CCCCC1=CC(N)=C2NC=CC=C2N1CC(C)(C)O.
What is the InChIKey of 1-(4-amino-2-butyl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol?
The InChIKey is YGCGKRSQKGJNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-5-7-12-10-13(17)15-14(8-6-9-18-15)19(12)11-16(2,3)20/h6,8-10,18,20H,4-5,7,11,17H2,1-3H3.
What are the key properties of 1-(4-amino-2-butyl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol?
1-(4-amino-2-butyl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol has a molecular weight of 275.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-butyl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 22172669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).