4-(methylamino)-3-nitro-1-pyridin-3-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one

C15H10F3N5O3 — CID 175490444

IUPAC4-(methylamino)-3-nitro-1-pyridin-3-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESCNc1c([N+](=O)[O-])c(=O)n(-c2cccnc2)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C15H10F3N5O3/c1-19-11-9-4-5-10(15(16,17)18)21-13(9)22(8-3-2-6-20-7-8)14(24)12(11)23(25)26/h2-7,19H,1H3
InChIKeyVMMJIHKOUPMLTJ-UHFFFAOYSA-N
MW365.27 g/mol
LogP2.75
Rot. Bonds3

About 4-(methylamino)-3-nitro-1-pyridin-3-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one

4-(methylamino)-3-nitro-1-pyridin-3-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one (PubChem CID 175490444) has the molecular formula C15H10F3N5O3 and a molecular weight of 365.27 g/mol. Its IUPAC name is 4-(methylamino)-3-nitro-1-pyridin-3-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-(methylamino)-3-nitro-1-pyridin-3-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one
PubChem CID175490444
Molecular FormulaC15H10F3N5O3
Molecular Weight365.27 g/mol
Exact Mass365.07
IUPAC Name4-(methylamino)-3-nitro-1-pyridin-3-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESCNc1c([N+](=O)[O-])c(=O)n(-c2cccnc2)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C15H10F3N5O3/c1-19-11-9-4-5-10(15(16,17)18)21-13(9)22(8-3-2-6-20-7-8)14(24)12(11)23(25)26/h2-7,19H,1H3
InChIKeyVMMJIHKOUPMLTJ-UHFFFAOYSA-N
XLogP2.75
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 4-(methylamino)-3-nitro-1-pyridin-3-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The IUPAC name of 4-(methylamino)-3-nitro-1-pyridin-3-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one (CID 175490444) is 4-(methylamino)-3-nitro-1-pyridin-3-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-(methylamino)-3-nitro-1-pyridin-3-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 4-(methylamino)-3-nitro-1-pyridin-3-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one is CNc1c([N+](=O)[O-])c(=O)n(-c2cccnc2)c2nc(C(F)(F)F)ccc12.
What is the InChIKey of 4-(methylamino)-3-nitro-1-pyridin-3-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The InChIKey is VMMJIHKOUPMLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O3/c1-19-11-9-4-5-10(15(16,17)18)21-13(9)22(8-3-2-6-20-7-8)14(24)12(11)23(25)26/h2-7,19H,1H3.
What are the key properties of 4-(methylamino)-3-nitro-1-pyridin-3-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
4-(methylamino)-3-nitro-1-pyridin-3-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one has a molecular weight of 365.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-3-nitro-1-pyridin-3-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 175490444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).