N-ethyl-6-(2-fluoro-6-nitrobenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide

C18H17FN4O4 — CID 69400082

IUPACN-ethyl-6-(2-fluoro-6-nitrobenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
SMILESCCNC(=O)c1ccc2c(n1)CCN(C(=O)c1c(F)cccc1[N+](=O)[O-])C2
InChIInChI=1S/C18H17FN4O4/c1-2-20-17(24)14-7-6-11-10-22(9-8-13(11)21-14)18(25)16-12(19)4-3-5-15(16)23(26)27/h3-7H,2,8-10H2,1H3,(H,20,24)
InChIKeyFSRUTAMPXWZUBT-UHFFFAOYSA-N
MW372.36 g/mol
LogP2.08
Rot. Bonds4

About N-ethyl-6-(2-fluoro-6-nitrobenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide

N-ethyl-6-(2-fluoro-6-nitrobenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide (PubChem CID 69400082) has the molecular formula C18H17FN4O4 and a molecular weight of 372.36 g/mol. Its IUPAC name is N-ethyl-6-(2-fluoro-6-nitrobenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(2-fluoro-6-nitrobenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
PubChem CID69400082
Molecular FormulaC18H17FN4O4
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC NameN-ethyl-6-(2-fluoro-6-nitrobenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
SMILESCCNC(=O)c1ccc2c(n1)CCN(C(=O)c1c(F)cccc1[N+](=O)[O-])C2
InChIInChI=1S/C18H17FN4O4/c1-2-20-17(24)14-7-6-11-10-22(9-8-13(11)21-14)18(25)16-12(19)4-3-5-15(16)23(26)27/h3-7H,2,8-10H2,1H3,(H,20,24)
InChIKeyFSRUTAMPXWZUBT-UHFFFAOYSA-N
XLogP2.08
TPSA105.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-fluoro-6-nitrobenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-ethyl-6-(2-fluoro-6-nitrobenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide (CID 69400082) is N-ethyl-6-(2-fluoro-6-nitrobenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-6-(2-fluoro-6-nitrobenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-ethyl-6-(2-fluoro-6-nitrobenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide is CCNC(=O)c1ccc2c(n1)CCN(C(=O)c1c(F)cccc1[N+](=O)[O-])C2.
What is the InChIKey of N-ethyl-6-(2-fluoro-6-nitrobenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
The InChIKey is FSRUTAMPXWZUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4/c1-2-20-17(24)14-7-6-11-10-22(9-8-13(11)21-14)18(25)16-12(19)4-3-5-15(16)23(26)27/h3-7H,2,8-10H2,1H3,(H,20,24).
What are the key properties of N-ethyl-6-(2-fluoro-6-nitrobenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
N-ethyl-6-(2-fluoro-6-nitrobenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide has a molecular weight of 372.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-fluoro-6-nitrobenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 69400082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).