7-ethoxy-1-(2-hydroxyethyl)-4-oxo-N-(2H-tetrazol-5-yl)-1,8-naphthyridine-3-carboxamide

C14H15N7O4 — CID 21435000

IUPAC7-ethoxy-1-(2-hydroxyethyl)-4-oxo-N-(2H-tetrazol-5-yl)-1,8-naphthyridine-3-carboxamide
SMILESCCOc1ccc2c(=O)c(C(=O)Nc3nn[nH]n3)cn(CCO)c2n1
InChIInChI=1S/C14H15N7O4/c1-2-25-10-4-3-8-11(23)9(7-21(5-6-22)12(8)15-10)13(24)16-14-17-19-20-18-14/h3-4,7,22H,2,5-6H2,1H3,(H2,16,17,18,19,20,24)
InChIKeyLWQPOEUHLPMSFG-UHFFFAOYSA-N
MW345.32 g/mol
LogP-0.45
Rot. Bonds6

About 7-ethoxy-1-(2-hydroxyethyl)-4-oxo-N-(2H-tetrazol-5-yl)-1,8-naphthyridine-3-carboxamide

7-ethoxy-1-(2-hydroxyethyl)-4-oxo-N-(2H-tetrazol-5-yl)-1,8-naphthyridine-3-carboxamide (PubChem CID 21435000) has the molecular formula C14H15N7O4 and a molecular weight of 345.32 g/mol. Its IUPAC name is 7-ethoxy-1-(2-hydroxyethyl)-4-oxo-N-(2H-tetrazol-5-yl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-ethoxy-1-(2-hydroxyethyl)-4-oxo-N-(2H-tetrazol-5-yl)-1,8-naphthyridine-3-carboxamide
PubChem CID21435000
Molecular FormulaC14H15N7O4
Molecular Weight345.32 g/mol
Exact Mass345.12
IUPAC Name7-ethoxy-1-(2-hydroxyethyl)-4-oxo-N-(2H-tetrazol-5-yl)-1,8-naphthyridine-3-carboxamide
SMILESCCOc1ccc2c(=O)c(C(=O)Nc3nn[nH]n3)cn(CCO)c2n1
InChIInChI=1S/C14H15N7O4/c1-2-25-10-4-3-8-11(23)9(7-21(5-6-22)12(8)15-10)13(24)16-14-17-19-20-18-14/h3-4,7,22H,2,5-6H2,1H3,(H2,16,17,18,19,20,24)
InChIKeyLWQPOEUHLPMSFG-UHFFFAOYSA-N
XLogP-0.45
TPSA147.91 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-1-(2-hydroxyethyl)-4-oxo-N-(2H-tetrazol-5-yl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-ethoxy-1-(2-hydroxyethyl)-4-oxo-N-(2H-tetrazol-5-yl)-1,8-naphthyridine-3-carboxamide (CID 21435000) is 7-ethoxy-1-(2-hydroxyethyl)-4-oxo-N-(2H-tetrazol-5-yl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-ethoxy-1-(2-hydroxyethyl)-4-oxo-N-(2H-tetrazol-5-yl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-ethoxy-1-(2-hydroxyethyl)-4-oxo-N-(2H-tetrazol-5-yl)-1,8-naphthyridine-3-carboxamide is CCOc1ccc2c(=O)c(C(=O)Nc3nn[nH]n3)cn(CCO)c2n1.
What is the InChIKey of 7-ethoxy-1-(2-hydroxyethyl)-4-oxo-N-(2H-tetrazol-5-yl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is LWQPOEUHLPMSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O4/c1-2-25-10-4-3-8-11(23)9(7-21(5-6-22)12(8)15-10)13(24)16-14-17-19-20-18-14/h3-4,7,22H,2,5-6H2,1H3,(H2,16,17,18,19,20,24).
What are the key properties of 7-ethoxy-1-(2-hydroxyethyl)-4-oxo-N-(2H-tetrazol-5-yl)-1,8-naphthyridine-3-carboxamide?
7-ethoxy-1-(2-hydroxyethyl)-4-oxo-N-(2H-tetrazol-5-yl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 345.32 g/mol, XLogP of -0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-1-(2-hydroxyethyl)-4-oxo-N-(2H-tetrazol-5-yl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 21435000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).