ethyl 1-amino-2,7-naphthyridine-4-carboxylate

C11H11N3O2 — CID 73425222

IUPACethyl 1-amino-2,7-naphthyridine-4-carboxylate
SMILESCCOC(=O)c1cnc(N)c2cnccc12
InChIInChI=1S/C11H11N3O2/c1-2-16-11(15)9-6-14-10(12)8-5-13-4-3-7(8)9/h3-6H,2H2,1H3,(H2,12,14)
InChIKeySMUCCMUUGBSWHY-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.39
Rot. Bonds2

About ethyl 1-amino-2,7-naphthyridine-4-carboxylate

ethyl 1-amino-2,7-naphthyridine-4-carboxylate (PubChem CID 73425222) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is ethyl 1-amino-2,7-naphthyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-2,7-naphthyridine-4-carboxylate
PubChem CID73425222
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Nameethyl 1-amino-2,7-naphthyridine-4-carboxylate
SMILESCCOC(=O)c1cnc(N)c2cnccc12
InChIInChI=1S/C11H11N3O2/c1-2-16-11(15)9-6-14-10(12)8-5-13-4-3-7(8)9/h3-6H,2H2,1H3,(H2,12,14)
InChIKeySMUCCMUUGBSWHY-UHFFFAOYSA-N
XLogP1.39
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl thieno[3,2-c]pyridine-3-carboxylate
CID 68730980
ethyl 3-propan-2-ylpyridine-4-carboxylate
CID 131699762
ethyl 4-(hydroxymethyl)pyridine-3-carboxylate
CID 112757154
ethyl 2-amino-5-ethylpyridine-3-carboxylate
CID 155887465
2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate
CID 159950577
ethyl 8-hydroxyisoquinoline-6-carboxylate
CID 137117771
ethyl 4-benzo[c][2,7]naphthyridin-5-ylpyridine-3-carboxylate
CID 138968210
ethyl 4-[(E)-3-phenylprop-2-enoxy]-1,6-naphthyridine-3-carboxylate
CID 167867809
ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate
CID 46317910
ethyl 1-anilinoisoquinoline-4-carboxylate
CID 46358338
6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid
CID 170903103
ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646909

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-2,7-naphthyridine-4-carboxylate?
The IUPAC name of ethyl 1-amino-2,7-naphthyridine-4-carboxylate (CID 73425222) is ethyl 1-amino-2,7-naphthyridine-4-carboxylate.
What is the SMILES notation for ethyl 1-amino-2,7-naphthyridine-4-carboxylate?
The canonical SMILES for ethyl 1-amino-2,7-naphthyridine-4-carboxylate is CCOC(=O)c1cnc(N)c2cnccc12.
What is the InChIKey of ethyl 1-amino-2,7-naphthyridine-4-carboxylate?
The InChIKey is SMUCCMUUGBSWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-2-16-11(15)9-6-14-10(12)8-5-13-4-3-7(8)9/h3-6H,2H2,1H3,(H2,12,14).
What are the key properties of ethyl 1-amino-2,7-naphthyridine-4-carboxylate?
ethyl 1-amino-2,7-naphthyridine-4-carboxylate has a molecular weight of 217.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-2,7-naphthyridine-4-carboxylate is sourced from PubChem (CID 73425222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).