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

C18H20N4O — CID 135368322

IUPAC3-methyl-3-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]butan-1-ol
SMILESCC(C)(CCO)Nc1cc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C18H20N4O/c1-18(2,6-10-23)22-16-11-15(13-3-7-19-8-4-13)21-17-12-20-9-5-14(16)17/h3-5,7-9,11-12,23H,6,10H2,1-2H3,(H,21,22)
InChIKeyZDFAHXLXZQRYKB-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.26
Rot. Bonds5

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

3-methyl-3-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]butan-1-ol (PubChem CID 135368322) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-methyl-3-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]butan-1-ol
PubChem CID135368322
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name3-methyl-3-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]butan-1-ol
SMILESCC(C)(CCO)Nc1cc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C18H20N4O/c1-18(2,6-10-23)22-16-11-15(13-3-7-19-8-4-13)21-17-12-20-9-5-14(16)17/h3-5,7-9,11-12,23H,6,10H2,1-2H3,(H,21,22)
InChIKeyZDFAHXLXZQRYKB-UHFFFAOYSA-N
XLogP3.26
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]butan-1-ol?
The IUPAC name of 3-methyl-3-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]butan-1-ol (CID 135368322) is 3-methyl-3-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]butan-1-ol?
The canonical SMILES for 3-methyl-3-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]butan-1-ol is CC(C)(CCO)Nc1cc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of 3-methyl-3-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]butan-1-ol?
The InChIKey is ZDFAHXLXZQRYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-18(2,6-10-23)22-16-11-15(13-3-7-19-8-4-13)21-17-12-20-9-5-14(16)17/h3-5,7-9,11-12,23H,6,10H2,1-2H3,(H,21,22).
What are the key properties of 3-methyl-3-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]butan-1-ol?
3-methyl-3-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]butan-1-ol has a molecular weight of 308.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2-pyridin-4-yl-1,7-naphthyridin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 135368322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).