1-ethyl-2-morpholin-4-yl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxamide

C15H17N5O5 — CID 86710739

IUPAC1-ethyl-2-morpholin-4-yl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(N2CCOCC2)c(C(N)=O)c(=O)c2cc([N+](=O)[O-])cnc21
InChIInChI=1S/C15H17N5O5/c1-2-19-14-10(7-9(8-17-14)20(23)24)12(21)11(13(16)22)15(19)18-3-5-25-6-4-18/h7-8H,2-6H2,1H3,(H2,16,22)
InChIKeyIITIWJWZLAQIAD-UHFFFAOYSA-N
MW347.33 g/mol
LogP0.26
Rot. Bonds4

About 1-ethyl-2-morpholin-4-yl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-2-morpholin-4-yl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 86710739) has the molecular formula C15H17N5O5 and a molecular weight of 347.33 g/mol. Its IUPAC name is 1-ethyl-2-morpholin-4-yl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-morpholin-4-yl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID86710739
Molecular FormulaC15H17N5O5
Molecular Weight347.33 g/mol
Exact Mass347.12
IUPAC Name1-ethyl-2-morpholin-4-yl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(N2CCOCC2)c(C(N)=O)c(=O)c2cc([N+](=O)[O-])cnc21
InChIInChI=1S/C15H17N5O5/c1-2-19-14-10(7-9(8-17-14)20(23)24)12(21)11(13(16)22)15(19)18-3-5-25-6-4-18/h7-8H,2-6H2,1H3,(H2,16,22)
InChIKeyIITIWJWZLAQIAD-UHFFFAOYSA-N
XLogP0.26
TPSA133.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Related Compounds

4-amino-1-ethyl-3,6-dinitro-1,8-naphthyridin-2-one
CID 15153036
5-nitro-2-(1,4-oxazepan-4-yl)pyridine-3-carboxylic acid
CID 114046762
4-(3,5-dinitro-2-pyridinyl)morpholine
CID 2847997
4-(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)morpholine
CID 67155951
1-ethyl-3-hydroxy-6-nitro-1,8-naphthyridin-2-one
CID 170629377
3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one
CID 162519808
2-morpholin-4-yl-4-nitrobenzamide
CID 118024291
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide
CID 133344472
2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133363039
2-amino-N-ethyl-5-nitro-N-propylpyridine-3-carboxamide
CID 104585991
2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133280056
2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
CID 7900478

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-morpholin-4-yl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-2-morpholin-4-yl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxamide (CID 86710739) is 1-ethyl-2-morpholin-4-yl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-2-morpholin-4-yl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-2-morpholin-4-yl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1c(N2CCOCC2)c(C(N)=O)c(=O)c2cc([N+](=O)[O-])cnc21.
What is the InChIKey of 1-ethyl-2-morpholin-4-yl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is IITIWJWZLAQIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O5/c1-2-19-14-10(7-9(8-17-14)20(23)24)12(21)11(13(16)22)15(19)18-3-5-25-6-4-18/h7-8H,2-6H2,1H3,(H2,16,22).
What are the key properties of 1-ethyl-2-morpholin-4-yl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-2-morpholin-4-yl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-morpholin-4-yl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 86710739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).