7-(dimethoxymethyl)-6-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C18H18F4N4O3 — CID 118036589

IUPAC7-(dimethoxymethyl)-6-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1F)CCCN2C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H18F4N4O3/c1-28-16(29-2)14-12(19)8-10-4-3-7-26(15(10)25-14)17(27)24-13-6-5-11(9-23-13)18(20,21)22/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,23,24,27)
InChIKeyILKBSHPJNRRNRH-UHFFFAOYSA-N
MW414.36 g/mol
LogP3.91
Rot. Bonds4

About 7-(dimethoxymethyl)-6-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

7-(dimethoxymethyl)-6-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036589) has the molecular formula C18H18F4N4O3 and a molecular weight of 414.36 g/mol. Its IUPAC name is 7-(dimethoxymethyl)-6-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name7-(dimethoxymethyl)-6-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036589
Molecular FormulaC18H18F4N4O3
Molecular Weight414.36 g/mol
Exact Mass414.13
IUPAC Name7-(dimethoxymethyl)-6-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1F)CCCN2C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H18F4N4O3/c1-28-16(29-2)14-12(19)8-10-4-3-7-26(15(10)25-14)17(27)24-13-6-5-11(9-23-13)18(20,21)22/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,23,24,27)
InChIKeyILKBSHPJNRRNRH-UHFFFAOYSA-N
XLogP3.91
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethoxymethyl)-6-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 7-(dimethoxymethyl)-6-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036589) is 7-(dimethoxymethyl)-6-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 7-(dimethoxymethyl)-6-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 7-(dimethoxymethyl)-6-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC(OC)c1nc2c(cc1F)CCCN2C(=O)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 7-(dimethoxymethyl)-6-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is ILKBSHPJNRRNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N4O3/c1-28-16(29-2)14-12(19)8-10-4-3-7-26(15(10)25-14)17(27)24-13-6-5-11(9-23-13)18(20,21)22/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,23,24,27).
What are the key properties of 7-(dimethoxymethyl)-6-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
7-(dimethoxymethyl)-6-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 414.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethoxymethyl)-6-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).