7-(2-pyridin-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

C16H15N3O3 — CID 112532701

IUPAC7-(2-pyridin-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1cncc2c1CCN(C(=O)Cc1ccccn1)C2
InChIInChI=1S/C16H15N3O3/c20-15(7-12-3-1-2-5-18-12)19-6-4-13-11(10-19)8-17-9-14(13)16(21)22/h1-3,5,8-9H,4,6-7,10H2,(H,21,22)
InChIKeyVMDAALYMKLDJGD-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.30
Rot. Bonds3

About 7-(2-pyridin-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

7-(2-pyridin-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (PubChem CID 112532701) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 7-(2-pyridin-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name7-(2-pyridin-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
PubChem CID112532701
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name7-(2-pyridin-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1cncc2c1CCN(C(=O)Cc1ccccn1)C2
InChIInChI=1S/C16H15N3O3/c20-15(7-12-3-1-2-5-18-12)19-6-4-13-11(10-19)8-17-9-14(13)16(21)22/h1-3,5,8-9H,4,6-7,10H2,(H,21,22)
InChIKeyVMDAALYMKLDJGD-UHFFFAOYSA-N
XLogP1.30
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(2-pyridin-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532717
7-[2-(3-chlorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532721
2-methoxy-1-[5-(pyridin-2-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 97463848
7-(2-methylpropanoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476748
7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476737
7-(3-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476741
4-(2-pyridin-2-ylacetyl)piperazin-2-one
CID 62850564
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 109023313
2-(5-methylpyrazin-2-yl)-7-(2-pyridin-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136874997
7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532735
methyl 7-[2-(4-methylphenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535197
1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158

Frequently Asked Questions

What is the IUPAC name of 7-(2-pyridin-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 7-(2-pyridin-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (CID 112532701) is 7-(2-pyridin-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 7-(2-pyridin-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 7-(2-pyridin-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is O=C(O)c1cncc2c1CCN(C(=O)Cc1ccccn1)C2.
What is the InChIKey of 7-(2-pyridin-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is VMDAALYMKLDJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-15(7-12-3-1-2-5-18-12)19-6-4-13-11(10-19)8-17-9-14(13)16(21)22/h1-3,5,8-9H,4,6-7,10H2,(H,21,22).
What are the key properties of 7-(2-pyridin-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
7-(2-pyridin-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-pyridin-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 112532701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).