6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid

C13H18N2O3 — CID 82522043

IUPAC6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
SMILESCCCn1c2c(cc(C(=O)O)c1=O)CN(C)CC2
InChIInChI=1S/C13H18N2O3/c1-3-5-15-11-4-6-14(2)8-9(11)7-10(12(15)16)13(17)18/h7H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyXSAMVABKCXKQNR-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.94
Rot. Bonds3

About 6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid

6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid (PubChem CID 82522043) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
PubChem CID82522043
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
SMILESCCCn1c2c(cc(C(=O)O)c1=O)CN(C)CC2
InChIInChI=1S/C13H18N2O3/c1-3-5-15-11-4-6-14(2)8-9(11)7-10(12(15)16)13(17)18/h7H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyXSAMVABKCXKQNR-UHFFFAOYSA-N
XLogP0.94
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide
CID 82522028
3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82189156
1-ethyl-6-methyl-3-(piperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522057
6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521858
3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522519
3-(piperazine-1-carbonyl)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522532
3-acetyl-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521987
6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 116533203
1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522073
6-(2,3-dihydro-1H-inden-5-yl)-2-oxo-1-propylpyridine-3-carboxylic acid
CID 82100024
2-(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)acetic acid
CID 82395377
2-ethyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 116532966

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid (CID 82522043) is 6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid is CCCn1c2c(cc(C(=O)O)c1=O)CN(C)CC2.
What is the InChIKey of 6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is XSAMVABKCXKQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-5-15-11-4-6-14(2)8-9(11)7-10(12(15)16)13(17)18/h7H,3-6,8H2,1-2H3,(H,17,18).
What are the key properties of 6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid?
6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 82522043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).