7-(dimethoxymethyl)-6-formyl-1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide

C19H20F3N4O4+ — CID 118038767

IUPAC7-(dimethoxymethyl)-6-formyl-1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1C=O)CCC[N+]2(C(N)=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H19F3N4O4/c1-29-17(30-2)15-12(10-27)8-11-4-3-7-26(18(23)28,16(11)25-15)14-6-5-13(9-24-14)19(20,21)22/h5-6,8-10,17H,3-4,7H2,1-2H3,(H-,23,28)/p+1
InChIKeyBWAPNBRJHBKYQO-UHFFFAOYSA-O
MW425.39 g/mol
LogP3.26
Rot. Bonds5

About 7-(dimethoxymethyl)-6-formyl-1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide

7-(dimethoxymethyl)-6-formyl-1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide (PubChem CID 118038767) has the molecular formula C19H20F3N4O4+ and a molecular weight of 425.39 g/mol. Its IUPAC name is 7-(dimethoxymethyl)-6-formyl-1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide.

Molecular Properties

Compound Name7-(dimethoxymethyl)-6-formyl-1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
PubChem CID118038767
Molecular FormulaC19H20F3N4O4+
Molecular Weight425.39 g/mol
Exact Mass425.14
IUPAC Name7-(dimethoxymethyl)-6-formyl-1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1C=O)CCC[N+]2(C(N)=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H19F3N4O4/c1-29-17(30-2)15-12(10-27)8-11-4-3-7-26(18(23)28,16(11)25-15)14-6-5-13(9-24-14)19(20,21)22/h5-6,8-10,17H,3-4,7H2,1-2H3,(H-,23,28)/p+1
InChIKeyBWAPNBRJHBKYQO-UHFFFAOYSA-O
XLogP3.26
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 7-(dimethoxymethyl)-6-formyl-1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(dimethoxymethyl)-6-formyl-1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide?
The IUPAC name of 7-(dimethoxymethyl)-6-formyl-1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide (CID 118038767) is 7-(dimethoxymethyl)-6-formyl-1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide.
What is the SMILES notation for 7-(dimethoxymethyl)-6-formyl-1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide?
The canonical SMILES for 7-(dimethoxymethyl)-6-formyl-1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide is COC(OC)c1nc2c(cc1C=O)CCC[N+]2(C(N)=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 7-(dimethoxymethyl)-6-formyl-1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide?
The InChIKey is BWAPNBRJHBKYQO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19F3N4O4/c1-29-17(30-2)15-12(10-27)8-11-4-3-7-26(18(23)28,16(11)25-15)14-6-5-13(9-24-14)19(20,21)22/h5-6,8-10,17H,3-4,7H2,1-2H3,(H-,23,28)/p+1.
What are the key properties of 7-(dimethoxymethyl)-6-formyl-1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide?
7-(dimethoxymethyl)-6-formyl-1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide has a molecular weight of 425.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethoxymethyl)-6-formyl-1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide is sourced from PubChem (CID 118038767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).