4-(4-methoxy-4-methylpiperidin-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid

C17H21N3O4 — CID 148913523

IUPAC4-(4-methoxy-4-methylpiperidin-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid
SMILESCOC1(C)CCN(c2c(C)c(=O)[nH]c3cnc(C(=O)O)cc23)CC1
InChIInChI=1S/C17H21N3O4/c1-10-14(20-6-4-17(2,24-3)5-7-20)11-8-12(16(22)23)18-9-13(11)19-15(10)21/h8-9H,4-7H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyPJCHKRLLCJHOHY-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.94
Rot. Bonds3

About 4-(4-methoxy-4-methylpiperidin-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid

4-(4-methoxy-4-methylpiperidin-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid (PubChem CID 148913523) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-(4-methoxy-4-methylpiperidin-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxy-4-methylpiperidin-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid
PubChem CID148913523
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name4-(4-methoxy-4-methylpiperidin-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid
SMILESCOC1(C)CCN(c2c(C)c(=O)[nH]c3cnc(C(=O)O)cc23)CC1
InChIInChI=1S/C17H21N3O4/c1-10-14(20-6-4-17(2,24-3)5-7-20)11-8-12(16(22)23)18-9-13(11)19-15(10)21/h8-9H,4-7H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyPJCHKRLLCJHOHY-UHFFFAOYSA-N
XLogP1.94
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-methoxy-4-methylpiperidin-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid with MolForge

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Related Compounds

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methyl 5-[4-[(2S)-2-[(2-phenylacetyl)amino]-6-(prop-2-enoylamino)hexanoyl]piperazin-1-yl]pyridine-2-carboxylate
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5-(N-methyl-N-benzylamino)-pyridine-2-carboxylic acid
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2-Pyridinecarboxylic acid, 5-[(1-oxopropyl)amino]-
CID 12640221
5-(Benzoylamino)pyridine-2-carboxylic acid
CID 12640225
US10513493, Example 25
CID 118302019
5-{[(Tert-butoxy)carbonyl]amino}pyridine-2-carboxylic acid
CID 28875521
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CID 44630157

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-4-methylpiperidin-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid?
The IUPAC name of 4-(4-methoxy-4-methylpiperidin-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid (CID 148913523) is 4-(4-methoxy-4-methylpiperidin-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid.
What is the SMILES notation for 4-(4-methoxy-4-methylpiperidin-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid?
The canonical SMILES for 4-(4-methoxy-4-methylpiperidin-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid is COC1(C)CCN(c2c(C)c(=O)[nH]c3cnc(C(=O)O)cc23)CC1.
What is the InChIKey of 4-(4-methoxy-4-methylpiperidin-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid?
The InChIKey is PJCHKRLLCJHOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-10-14(20-6-4-17(2,24-3)5-7-20)11-8-12(16(22)23)18-9-13(11)19-15(10)21/h8-9H,4-7H2,1-3H3,(H,19,21)(H,22,23).
What are the key properties of 4-(4-methoxy-4-methylpiperidin-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid?
4-(4-methoxy-4-methylpiperidin-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-4-methylpiperidin-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid is sourced from PubChem (CID 148913523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).