5-ethoxy-8-(hydroxymethyl)-2,4-dimethyl-3,4-dihydro-1,6-naphthyridine-3-carboxamide

C14H19N3O3 — CID 126640999

IUPAC5-ethoxy-8-(hydroxymethyl)-2,4-dimethyl-3,4-dihydro-1,6-naphthyridine-3-carboxamide
SMILESCCOc1ncc(CO)c2c1C(C)C(C(N)=O)C(C)=N2
InChIInChI=1S/C14H19N3O3/c1-4-20-14-11-7(2)10(13(15)19)8(3)17-12(11)9(6-18)5-16-14/h5,7,10,18H,4,6H2,1-3H3,(H2,15,19)
InChIKeyARCOUFZWCFHXIL-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.28
Rot. Bonds4

About 5-ethoxy-8-(hydroxymethyl)-2,4-dimethyl-3,4-dihydro-1,6-naphthyridine-3-carboxamide

5-ethoxy-8-(hydroxymethyl)-2,4-dimethyl-3,4-dihydro-1,6-naphthyridine-3-carboxamide (PubChem CID 126640999) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-ethoxy-8-(hydroxymethyl)-2,4-dimethyl-3,4-dihydro-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name5-ethoxy-8-(hydroxymethyl)-2,4-dimethyl-3,4-dihydro-1,6-naphthyridine-3-carboxamide
PubChem CID126640999
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-ethoxy-8-(hydroxymethyl)-2,4-dimethyl-3,4-dihydro-1,6-naphthyridine-3-carboxamide
SMILESCCOc1ncc(CO)c2c1C(C)C(C(N)=O)C(C)=N2
InChIInChI=1S/C14H19N3O3/c1-4-20-14-11-7(2)10(13(15)19)8(3)17-12(11)9(6-18)5-16-14/h5,7,10,18H,4,6H2,1-3H3,(H2,15,19)
InChIKeyARCOUFZWCFHXIL-UHFFFAOYSA-N
XLogP1.28
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-8-(hydroxymethyl)-2,4-dimethyl-3,4-dihydro-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 5-ethoxy-8-(hydroxymethyl)-2,4-dimethyl-3,4-dihydro-1,6-naphthyridine-3-carboxamide (CID 126640999) is 5-ethoxy-8-(hydroxymethyl)-2,4-dimethyl-3,4-dihydro-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 5-ethoxy-8-(hydroxymethyl)-2,4-dimethyl-3,4-dihydro-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 5-ethoxy-8-(hydroxymethyl)-2,4-dimethyl-3,4-dihydro-1,6-naphthyridine-3-carboxamide is CCOc1ncc(CO)c2c1C(C)C(C(N)=O)C(C)=N2.
What is the InChIKey of 5-ethoxy-8-(hydroxymethyl)-2,4-dimethyl-3,4-dihydro-1,6-naphthyridine-3-carboxamide?
The InChIKey is ARCOUFZWCFHXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-4-20-14-11-7(2)10(13(15)19)8(3)17-12(11)9(6-18)5-16-14/h5,7,10,18H,4,6H2,1-3H3,(H2,15,19).
What are the key properties of 5-ethoxy-8-(hydroxymethyl)-2,4-dimethyl-3,4-dihydro-1,6-naphthyridine-3-carboxamide?
5-ethoxy-8-(hydroxymethyl)-2,4-dimethyl-3,4-dihydro-1,6-naphthyridine-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-8-(hydroxymethyl)-2,4-dimethyl-3,4-dihydro-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 126640999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).