1-[3-(dimethylamino)propyl]-5-methoxy-4-oxopyridine-2-carboxylic acid

C12H18N2O4 — CID 114201479

IUPAC1-[3-(dimethylamino)propyl]-5-methoxy-4-oxopyridine-2-carboxylic acid
SMILESCOc1cn(CCCN(C)C)c(C(=O)O)cc1=O
InChIInChI=1S/C12H18N2O4/c1-13(2)5-4-6-14-8-11(18-3)10(15)7-9(14)12(16)17/h7-8H,4-6H2,1-3H3,(H,16,17)
InChIKeyNANXCXCGFQQTSV-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.51
Rot. Bonds6

About 1-[3-(dimethylamino)propyl]-5-methoxy-4-oxopyridine-2-carboxylic acid

1-[3-(dimethylamino)propyl]-5-methoxy-4-oxopyridine-2-carboxylic acid (PubChem CID 114201479) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-5-methoxy-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-5-methoxy-4-oxopyridine-2-carboxylic acid
PubChem CID114201479
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name1-[3-(dimethylamino)propyl]-5-methoxy-4-oxopyridine-2-carboxylic acid
SMILESCOc1cn(CCCN(C)C)c(C(=O)O)cc1=O
InChIInChI=1S/C12H18N2O4/c1-13(2)5-4-6-14-8-11(18-3)10(15)7-9(14)12(16)17/h7-8H,4-6H2,1-3H3,(H,16,17)
InChIKeyNANXCXCGFQQTSV-UHFFFAOYSA-N
XLogP0.51
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methoxy-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
CID 40572869
2-(5-Methoxy-2-methyl-4-oxo-1,4-dihydropyridin-1-YL)acetic acid
CID 86058350
5-Methoxy-4-oxo-1-(3,3,3-trifluoropropyl)pyridine-2-carboxylic acid
CID 114201555
5-Methoxy-4-oxo-1-(4,4,4-trifluorobutan-2-yl)pyridine-2-carboxylic acid
CID 114201647
5-Methoxy-4-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxylic acid
CID 114201652
(3-methoxy-2-methyl-4-oxopyridin-1(4H)-yl)acetic acid
CID 22766109
1,5-Dibutoxy-4-oxopyridine-2-carboxylic acid
CID 67963601
5-Butoxy-1-methyl-4-oxopyridine-2-carboxylic acid
CID 67963664
3-Butoxy-4-oxo-1-prop-2-enylpyridine-2-carboxylic acid
CID 68225549
2-(3-Butoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid
CID 90075546
3-Butoxy-1-(2,2-dihydroxyethyl)-4-oxopyridine-2-carboxylic acid
CID 118264992
1-(2-Azidopropyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 141527167

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-5-methoxy-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-[3-(dimethylamino)propyl]-5-methoxy-4-oxopyridine-2-carboxylic acid (CID 114201479) is 1-[3-(dimethylamino)propyl]-5-methoxy-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-5-methoxy-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-5-methoxy-4-oxopyridine-2-carboxylic acid is COc1cn(CCCN(C)C)c(C(=O)O)cc1=O.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-5-methoxy-4-oxopyridine-2-carboxylic acid?
The InChIKey is NANXCXCGFQQTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-13(2)5-4-6-14-8-11(18-3)10(15)7-9(14)12(16)17/h7-8H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 1-[3-(dimethylamino)propyl]-5-methoxy-4-oxopyridine-2-carboxylic acid?
1-[3-(dimethylamino)propyl]-5-methoxy-4-oxopyridine-2-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-5-methoxy-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114201479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).