[3-(hydroxymethyl)morpholin-4-yl]-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methanone

C14H19N3O3 — CID 112531976

IUPAC[3-(hydroxymethyl)morpholin-4-yl]-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methanone
SMILESO=C(c1cncc2c1CCNC2)N1CCOCC1CO
InChIInChI=1S/C14H19N3O3/c18-8-11-9-20-4-3-17(11)14(19)13-7-16-6-10-5-15-2-1-12(10)13/h6-7,11,15,18H,1-5,8-9H2
InChIKeySSTJWSQMUWNILM-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.44
Rot. Bonds2

About [3-(hydroxymethyl)morpholin-4-yl]-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methanone

[3-(hydroxymethyl)morpholin-4-yl]-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methanone (PubChem CID 112531976) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is [3-(hydroxymethyl)morpholin-4-yl]-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)morpholin-4-yl]-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methanone
PubChem CID112531976
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name[3-(hydroxymethyl)morpholin-4-yl]-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methanone
SMILESO=C(c1cncc2c1CCNC2)N1CCOCC1CO
InChIInChI=1S/C14H19N3O3/c18-8-11-9-20-4-3-17(11)14(19)13-7-16-6-10-5-15-2-1-12(10)13/h6-7,11,15,18H,1-5,8-9H2
InChIKeySSTJWSQMUWNILM-UHFFFAOYSA-N
XLogP-0.44
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methanone (CID 112531976) is [3-(hydroxymethyl)morpholin-4-yl]-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)morpholin-4-yl]-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)morpholin-4-yl]-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methanone is O=C(c1cncc2c1CCNC2)N1CCOCC1CO.
What is the InChIKey of [3-(hydroxymethyl)morpholin-4-yl]-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methanone?
The InChIKey is SSTJWSQMUWNILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-8-11-9-20-4-3-17(11)14(19)13-7-16-6-10-5-15-2-1-12(10)13/h6-7,11,15,18H,1-5,8-9H2.
What are the key properties of [3-(hydroxymethyl)morpholin-4-yl]-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methanone?
[3-(hydroxymethyl)morpholin-4-yl]-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methanone has a molecular weight of 277.32 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)morpholin-4-yl]-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methanone is sourced from PubChem (CID 112531976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).