3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

C16H19N3O3 — CID 97463619

IUPAC3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESCN(C)c1ncc2c(c1C(=O)O)CCN(Cc1ccoc1)C2
InChIInChI=1S/C16H19N3O3/c1-18(2)15-14(16(20)21)13-3-5-19(9-12(13)7-17-15)8-11-4-6-22-10-11/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,20,21)
InChIKeyZJOJPDUORINTSL-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.00
Rot. Bonds4

About 3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (PubChem CID 97463619) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
PubChem CID97463619
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESCN(C)c1ncc2c(c1C(=O)O)CCN(Cc1ccoc1)C2
InChIInChI=1S/C16H19N3O3/c1-18(2)15-14(16(20)21)13-3-5-19(9-12(13)7-17-15)8-11-4-6-22-10-11/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,20,21)
InChIKeyZJOJPDUORINTSL-UHFFFAOYSA-N
XLogP2.00
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(furan-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97389658
2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 83172634
7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97389655
N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine;trihydrochloride
CID 118742168
3-amino-7-ethyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 165498774
7-(furan-3-ylmethyl)-4-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97381245
3-(cyclopropylmethylamino)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463640
N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine
CID 97410170
4-(furan-3-ylmethyl)-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155839614
4-[[furan-3-ylmethyl(methyl)amino]methyl]benzoic acid
CID 61422241
2-[4-(furan-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 65062356
7-(furan-3-ylmethyl)-3-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155852006

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (CID 97463619) is 3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is CN(C)c1ncc2c(c1C(=O)O)CCN(Cc1ccoc1)C2.
What is the InChIKey of 3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is ZJOJPDUORINTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-18(2)15-14(16(20)21)13-3-5-19(9-12(13)7-17-15)8-11-4-6-22-10-11/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,20,21).
What are the key properties of 3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 97463619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).