1-methyl-2-oxo-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid

C10H12N2O3 — CID 105461542

IUPAC1-methyl-2-oxo-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid
SMILESCn1c2c(cc(C(=O)O)c1=O)CNCC2
InChIInChI=1S/C10H12N2O3/c1-12-8-2-3-11-5-6(8)4-7(9(12)13)10(14)15/h4,11H,2-3,5H2,1H3,(H,14,15)
InChIKeyTZXFDICABKLVBC-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.27
Rot. Bonds1

About 1-methyl-2-oxo-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid

1-methyl-2-oxo-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid (PubChem CID 105461542) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-methyl-2-oxo-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid
PubChem CID105461542
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name1-methyl-2-oxo-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid
SMILESCn1c2c(cc(C(=O)O)c1=O)CNCC2
InChIInChI=1S/C10H12N2O3/c1-12-8-2-3-11-5-6(8)4-7(9(12)13)10(14)15/h4,11H,2-3,5H2,1H3,(H,14,15)
InChIKeyTZXFDICABKLVBC-UHFFFAOYSA-N
XLogP-0.27
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-oxo-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carboxylic acid
CID 105462628
1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522641
ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 97036567
1-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)ethanone
CID 169082507
N-(2-amino-1-cyclopropyl-2-oxoethyl)-1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-2-carboxamide
CID 167906313
1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid
CID 83816824
6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 82522043
2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxylic acid
CID 59718894
6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 167510777
methyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate
CID 52987735
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone
CID 22711006
1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 172748797

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid (CID 105461542) is 1-methyl-2-oxo-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid is Cn1c2c(cc(C(=O)O)c1=O)CNCC2.
What is the InChIKey of 1-methyl-2-oxo-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is TZXFDICABKLVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-12-8-2-3-11-5-6(8)4-7(9(12)13)10(14)15/h4,11H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 1-methyl-2-oxo-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid?
1-methyl-2-oxo-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 105461542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).