N-[1-(6-bromo-5,7-dimethyl-1,8-naphthyridin-2-yl)piperidin-3-yl]acetamide

C17H21BrN4O — CID 171335810

IUPACN-[1-(6-bromo-5,7-dimethyl-1,8-naphthyridin-2-yl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2ccc3c(C)c(Br)c(C)nc3n2)C1
InChIInChI=1S/C17H21BrN4O/c1-10-14-6-7-15(21-17(14)19-11(2)16(10)18)22-8-4-5-13(9-22)20-12(3)23/h6-7,13H,4-5,8-9H2,1-3H3,(H,20,23)
InChIKeyKMLFUIKXPGARHV-UHFFFAOYSA-N
MW377.29 g/mol
LogP3.11
Rot. Bonds2

About N-[1-(6-bromo-5,7-dimethyl-1,8-naphthyridin-2-yl)piperidin-3-yl]acetamide

N-[1-(6-bromo-5,7-dimethyl-1,8-naphthyridin-2-yl)piperidin-3-yl]acetamide (PubChem CID 171335810) has the molecular formula C17H21BrN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is N-[1-(6-bromo-5,7-dimethyl-1,8-naphthyridin-2-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(6-bromo-5,7-dimethyl-1,8-naphthyridin-2-yl)piperidin-3-yl]acetamide
PubChem CID171335810
Molecular FormulaC17H21BrN4O
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC NameN-[1-(6-bromo-5,7-dimethyl-1,8-naphthyridin-2-yl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2ccc3c(C)c(Br)c(C)nc3n2)C1
InChIInChI=1S/C17H21BrN4O/c1-10-14-6-7-15(21-17(14)19-11(2)16(10)18)22-8-4-5-13(9-22)20-12(3)23/h6-7,13H,4-5,8-9H2,1-3H3,(H,20,23)
InChIKeyKMLFUIKXPGARHV-UHFFFAOYSA-N
XLogP3.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-bromo-5,7-dimethyl-1,8-naphthyridin-2-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(6-bromo-5,7-dimethyl-1,8-naphthyridin-2-yl)piperidin-3-yl]acetamide (CID 171335810) is N-[1-(6-bromo-5,7-dimethyl-1,8-naphthyridin-2-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(6-bromo-5,7-dimethyl-1,8-naphthyridin-2-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(6-bromo-5,7-dimethyl-1,8-naphthyridin-2-yl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(c2ccc3c(C)c(Br)c(C)nc3n2)C1.
What is the InChIKey of N-[1-(6-bromo-5,7-dimethyl-1,8-naphthyridin-2-yl)piperidin-3-yl]acetamide?
The InChIKey is KMLFUIKXPGARHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O/c1-10-14-6-7-15(21-17(14)19-11(2)16(10)18)22-8-4-5-13(9-22)20-12(3)23/h6-7,13H,4-5,8-9H2,1-3H3,(H,20,23).
What are the key properties of N-[1-(6-bromo-5,7-dimethyl-1,8-naphthyridin-2-yl)piperidin-3-yl]acetamide?
N-[1-(6-bromo-5,7-dimethyl-1,8-naphthyridin-2-yl)piperidin-3-yl]acetamide has a molecular weight of 377.29 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-bromo-5,7-dimethyl-1,8-naphthyridin-2-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 171335810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).