3-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid

C13H17N3O3 — CID 175591711

IUPAC3-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(cc1N1CCOCC1)CNCC2
InChIInChI=1S/C13H17N3O3/c17-13(18)12-11(16-3-5-19-6-4-16)7-9-8-14-2-1-10(9)15-12/h7,14H,1-6,8H2,(H,17,18)
InChIKeyAXTWJMMPKKBXNH-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.26
Rot. Bonds2

About 3-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid

3-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid (PubChem CID 175591711) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid
PubChem CID175591711
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(cc1N1CCOCC1)CNCC2
InChIInChI=1S/C13H17N3O3/c17-13(18)12-11(16-3-5-19-6-4-16)7-9-8-14-2-1-10(9)15-12/h7,14H,1-6,8H2,(H,17,18)
InChIKeyAXTWJMMPKKBXNH-UHFFFAOYSA-N
XLogP0.26
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-6-morpholin-4-yl-4-piperidin-1-ylpyridine-2-carboxylic acid
CID 69460728
5-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 91557117
4-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholine;2,2,2-trifluoroacetic acid
CID 155854499
(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-pyrrolidin-1-ylmethanone
CID 73439193
4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethyl)morpholine
CID 20825871
4-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807505
4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,4-oxazepane
CID 81215541
1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone
CID 105464586
ethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid
CID 170730921
3-morpholin-4-yl-6-sulfanylidene-1H-pyridazine-4-carboxylic acid
CID 117102632
1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine
CID 13193877
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid?
The IUPAC name of 3-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid (CID 175591711) is 3-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 3-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid?
The canonical SMILES for 3-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid is O=C(O)c1nc2c(cc1N1CCOCC1)CNCC2.
What is the InChIKey of 3-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid?
The InChIKey is AXTWJMMPKKBXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-13(18)12-11(16-3-5-19-6-4-16)7-9-8-14-2-1-10(9)15-12/h7,14H,1-6,8H2,(H,17,18).
What are the key properties of 3-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid?
3-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 175591711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).