ethyl 2-amino-3-[5-[(3-methyl-2,7-naphthyridin-1-yl)oxy]-2-pyridinyl]propanoate

C19H20N4O3 — CID 23497587

IUPACethyl 2-amino-3-[5-[(3-methyl-2,7-naphthyridin-1-yl)oxy]-2-pyridinyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(Oc2nc(C)cc3ccncc23)cn1
InChIInChI=1S/C19H20N4O3/c1-3-25-19(24)17(20)9-14-4-5-15(10-22-14)26-18-16-11-21-7-6-13(16)8-12(2)23-18/h4-8,10-11,17H,3,9,20H2,1-2H3
InChIKeyNUTPXKCPBDPMJP-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.56
Rot. Bonds6

About ethyl 2-amino-3-[5-[(3-methyl-2,7-naphthyridin-1-yl)oxy]-2-pyridinyl]propanoate

ethyl 2-amino-3-[5-[(3-methyl-2,7-naphthyridin-1-yl)oxy]-2-pyridinyl]propanoate (PubChem CID 23497587) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 2-amino-3-[5-[(3-methyl-2,7-naphthyridin-1-yl)oxy]-2-pyridinyl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[5-[(3-methyl-2,7-naphthyridin-1-yl)oxy]-2-pyridinyl]propanoate
PubChem CID23497587
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Nameethyl 2-amino-3-[5-[(3-methyl-2,7-naphthyridin-1-yl)oxy]-2-pyridinyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(Oc2nc(C)cc3ccncc23)cn1
InChIInChI=1S/C19H20N4O3/c1-3-25-19(24)17(20)9-14-4-5-15(10-22-14)26-18-16-11-21-7-6-13(16)8-12(2)23-18/h4-8,10-11,17H,3,9,20H2,1-2H3
InChIKeyNUTPXKCPBDPMJP-UHFFFAOYSA-N
XLogP2.56
TPSA100.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[5-[(3-methyl-2,7-naphthyridin-1-yl)oxy]-2-pyridinyl]propanoate?
The IUPAC name of ethyl 2-amino-3-[5-[(3-methyl-2,7-naphthyridin-1-yl)oxy]-2-pyridinyl]propanoate (CID 23497587) is ethyl 2-amino-3-[5-[(3-methyl-2,7-naphthyridin-1-yl)oxy]-2-pyridinyl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[5-[(3-methyl-2,7-naphthyridin-1-yl)oxy]-2-pyridinyl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[5-[(3-methyl-2,7-naphthyridin-1-yl)oxy]-2-pyridinyl]propanoate is CCOC(=O)C(N)Cc1ccc(Oc2nc(C)cc3ccncc23)cn1.
What is the InChIKey of ethyl 2-amino-3-[5-[(3-methyl-2,7-naphthyridin-1-yl)oxy]-2-pyridinyl]propanoate?
The InChIKey is NUTPXKCPBDPMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-3-25-19(24)17(20)9-14-4-5-15(10-22-14)26-18-16-11-21-7-6-13(16)8-12(2)23-18/h4-8,10-11,17H,3,9,20H2,1-2H3.
What are the key properties of ethyl 2-amino-3-[5-[(3-methyl-2,7-naphthyridin-1-yl)oxy]-2-pyridinyl]propanoate?
ethyl 2-amino-3-[5-[(3-methyl-2,7-naphthyridin-1-yl)oxy]-2-pyridinyl]propanoate has a molecular weight of 352.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[5-[(3-methyl-2,7-naphthyridin-1-yl)oxy]-2-pyridinyl]propanoate is sourced from PubChem (CID 23497587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).