1-[5-(7-amino-2,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-ol

C18H20N4O — CID 171555917

IUPAC1-[5-(7-amino-2,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-ol
SMILESCCCC(O)c1cc(C)c(-c2cc3cnc(N)cc3cn2)cn1
InChIInChI=1S/C18H20N4O/c1-3-4-17(23)16-5-11(2)14(10-21-16)15-6-12-9-22-18(19)7-13(12)8-20-15/h5-10,17,23H,3-4H2,1-2H3,(H2,19,22)
InChIKeyBMIKZDYDUSPITI-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.42
Rot. Bonds4

About 1-[5-(7-amino-2,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-ol

1-[5-(7-amino-2,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-ol (PubChem CID 171555917) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-[5-(7-amino-2,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-ol.

Molecular Properties

Compound Name1-[5-(7-amino-2,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-ol
PubChem CID171555917
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name1-[5-(7-amino-2,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-ol
SMILESCCCC(O)c1cc(C)c(-c2cc3cnc(N)cc3cn2)cn1
InChIInChI=1S/C18H20N4O/c1-3-4-17(23)16-5-11(2)14(10-21-16)15-6-12-9-22-18(19)7-13(12)8-20-15/h5-10,17,23H,3-4H2,1-2H3,(H2,19,22)
InChIKeyBMIKZDYDUSPITI-UHFFFAOYSA-N
XLogP3.42
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(7-amino-2,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-ol?
The IUPAC name of 1-[5-(7-amino-2,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-ol (CID 171555917) is 1-[5-(7-amino-2,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-ol.
What is the SMILES notation for 1-[5-(7-amino-2,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-ol?
The canonical SMILES for 1-[5-(7-amino-2,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-ol is CCCC(O)c1cc(C)c(-c2cc3cnc(N)cc3cn2)cn1.
What is the InChIKey of 1-[5-(7-amino-2,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-ol?
The InChIKey is BMIKZDYDUSPITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-3-4-17(23)16-5-11(2)14(10-21-16)15-6-12-9-22-18(19)7-13(12)8-20-15/h5-10,17,23H,3-4H2,1-2H3,(H2,19,22).
What are the key properties of 1-[5-(7-amino-2,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-ol?
1-[5-(7-amino-2,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-ol has a molecular weight of 308.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(7-amino-2,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-ol is sourced from PubChem (CID 171555917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).