N-[2-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]ethyl]acetamide

C14H18N4O — CID 139573493

IUPACN-[2-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cnc2c(C)nccc2c1
InChIInChI=1S/C14H18N4O/c1-10-14-13(3-4-16-10)7-12(9-18-14)8-15-5-6-17-11(2)19/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,17,19)
InChIKeyJLONHTSHSTUXKT-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.16
Rot. Bonds5

About N-[2-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]ethyl]acetamide

N-[2-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]ethyl]acetamide (PubChem CID 139573493) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]ethyl]acetamide
PubChem CID139573493
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[2-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cnc2c(C)nccc2c1
InChIInChI=1S/C14H18N4O/c1-10-14-13(3-4-16-10)7-12(9-18-14)8-15-5-6-17-11(2)19/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,17,19)
InChIKeyJLONHTSHSTUXKT-UHFFFAOYSA-N
XLogP1.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]ethyl]acetamide (CID 139573493) is N-[2-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]ethyl]acetamide is CC(=O)NCCNCc1cnc2c(C)nccc2c1.
What is the InChIKey of N-[2-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]ethyl]acetamide?
The InChIKey is JLONHTSHSTUXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-14-13(3-4-16-10)7-12(9-18-14)8-15-5-6-17-11(2)19/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,17,19).
What are the key properties of N-[2-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]ethyl]acetamide?
N-[2-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]ethyl]acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]ethyl]acetamide is sourced from PubChem (CID 139573493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).