N-[4-(benzylamino)-1,5-naphthyridin-3-yl]-2-ethoxyacetamide

C19H20N4O2 — CID 22172666

IUPACN-[4-(benzylamino)-1,5-naphthyridin-3-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1cnc2cccnc2c1NCc1ccccc1
InChIInChI=1S/C19H20N4O2/c1-2-25-13-17(24)23-16-12-21-15-9-6-10-20-18(15)19(16)22-11-14-7-4-3-5-8-14/h3-10,12H,2,11,13H2,1H3,(H,21,22)(H,23,24)
InChIKeyXHFATEVMLUJBDI-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.22
Rot. Bonds7

About N-[4-(benzylamino)-1,5-naphthyridin-3-yl]-2-ethoxyacetamide

N-[4-(benzylamino)-1,5-naphthyridin-3-yl]-2-ethoxyacetamide (PubChem CID 22172666) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[4-(benzylamino)-1,5-naphthyridin-3-yl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[4-(benzylamino)-1,5-naphthyridin-3-yl]-2-ethoxyacetamide
PubChem CID22172666
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[4-(benzylamino)-1,5-naphthyridin-3-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1cnc2cccnc2c1NCc1ccccc1
InChIInChI=1S/C19H20N4O2/c1-2-25-13-17(24)23-16-12-21-15-9-6-10-20-18(15)19(16)22-11-14-7-4-3-5-8-14/h3-10,12H,2,11,13H2,1H3,(H,21,22)(H,23,24)
InChIKeyXHFATEVMLUJBDI-UHFFFAOYSA-N
XLogP3.22
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylamino)-1,5-naphthyridin-3-yl]-2-ethoxyacetamide?
The IUPAC name of N-[4-(benzylamino)-1,5-naphthyridin-3-yl]-2-ethoxyacetamide (CID 22172666) is N-[4-(benzylamino)-1,5-naphthyridin-3-yl]-2-ethoxyacetamide.
What is the SMILES notation for N-[4-(benzylamino)-1,5-naphthyridin-3-yl]-2-ethoxyacetamide?
The canonical SMILES for N-[4-(benzylamino)-1,5-naphthyridin-3-yl]-2-ethoxyacetamide is CCOCC(=O)Nc1cnc2cccnc2c1NCc1ccccc1.
What is the InChIKey of N-[4-(benzylamino)-1,5-naphthyridin-3-yl]-2-ethoxyacetamide?
The InChIKey is XHFATEVMLUJBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-25-13-17(24)23-16-12-21-15-9-6-10-20-18(15)19(16)22-11-14-7-4-3-5-8-14/h3-10,12H,2,11,13H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-[4-(benzylamino)-1,5-naphthyridin-3-yl]-2-ethoxyacetamide?
N-[4-(benzylamino)-1,5-naphthyridin-3-yl]-2-ethoxyacetamide has a molecular weight of 336.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylamino)-1,5-naphthyridin-3-yl]-2-ethoxyacetamide is sourced from PubChem (CID 22172666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).