ethyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

C17H18N4O3 — CID 112524084

IUPACethyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCCOC(=O)N1CCc2c(cncc2C(=O)Nc2cccnc2)C1
InChIInChI=1S/C17H18N4O3/c1-2-24-17(23)21-7-5-14-12(11-21)8-19-10-15(14)16(22)20-13-4-3-6-18-9-13/h3-4,6,8-10H,2,5,7,11H2,1H3,(H,20,22)
InChIKeyZINPOQGGSWIEAQ-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.24
Rot. Bonds3

About ethyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

ethyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (PubChem CID 112524084) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is ethyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
PubChem CID112524084
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Nameethyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCCOC(=O)N1CCc2c(cncc2C(=O)Nc2cccnc2)C1
InChIInChI=1S/C17H18N4O3/c1-2-24-17(23)21-7-5-14-12(11-21)8-19-10-15(14)16(22)20-13-4-3-6-18-9-13/h3-4,6,8-10H,2,5,7,11H2,1H3,(H,20,22)
InChIKeyZINPOQGGSWIEAQ-UHFFFAOYSA-N
XLogP2.24
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The IUPAC name of ethyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (CID 112524084) is ethyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is CCOC(=O)N1CCc2c(cncc2C(=O)Nc2cccnc2)C1.
What is the InChIKey of ethyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The InChIKey is ZINPOQGGSWIEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-2-24-17(23)21-7-5-14-12(11-21)8-19-10-15(14)16(22)20-13-4-3-6-18-9-13/h3-4,6,8-10H,2,5,7,11H2,1H3,(H,20,22).
What are the key properties of ethyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
ethyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate has a molecular weight of 326.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 112524084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).