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

C22H26F2N5O5+ — CID 118038402

IUPAC1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
SMILESCOCCOc1cc([N+]2(C(N)=O)CCCc3cc(C(F)F)c(C(OC)OC)nc32)ncc1C#N
InChIInChI=1S/C22H25F2N5O5/c1-31-7-8-34-16-10-17(27-12-14(16)11-25)29(22(26)30)6-4-5-13-9-15(19(23)24)18(28-20(13)29)21(32-2)33-3/h9-10,12,19,21H,4-8H2,1-3H3,(H-,26,30)/p+1
InChIKeyZSYLKKAHEOVLKW-UHFFFAOYSA-O
MW478.48 g/mol
LogP3.27
Rot. Bonds9

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

1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide (PubChem CID 118038402) has the molecular formula C22H26F2N5O5+ and a molecular weight of 478.48 g/mol. Its IUPAC name is 1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide.

Molecular Properties

Compound Name1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
PubChem CID118038402
Molecular FormulaC22H26F2N5O5+
Molecular Weight478.48 g/mol
Exact Mass478.19
IUPAC Name1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
SMILESCOCCOc1cc([N+]2(C(N)=O)CCCc3cc(C(F)F)c(C(OC)OC)nc32)ncc1C#N
InChIInChI=1S/C22H25F2N5O5/c1-31-7-8-34-16-10-17(27-12-14(16)11-25)29(22(26)30)6-4-5-13-9-15(19(23)24)18(28-20(13)29)21(32-2)33-3/h9-10,12,19,21H,4-8H2,1-3H3,(H-,26,30)/p+1
InChIKeyZSYLKKAHEOVLKW-UHFFFAOYSA-O
XLogP3.27
TPSA129.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-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

Related Compounds

6-(4-ethoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667227
N-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233106
N-(5-methylpyridin-3-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233557
N-(6-methylpyridin-3-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233558
N-(5-fluoropyridin-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233675
N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrazin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 67172634
N-(2-methylpyridin-4-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 68340795
N-(3-fluoropyridin-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 68341008
N-(3-methylpyridin-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 68341019
N-(2-methylpyridin-3-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 68341188
6-(3-fluorophenyl)-2,2-dimethyl-N-pyridin-2-yl-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 68341201
pyridin-4-yl 6-(3-(trifluoromethyl)phenyl)-2H-pyrido[3,2-b][1,4]oxazine-4(3H)-carboxylate
CID 68380784

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide?
The IUPAC name of 1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide (CID 118038402) is 1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide.
What is the SMILES notation for 1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide?
The canonical SMILES for 1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide is COCCOc1cc([N+]2(C(N)=O)CCCc3cc(C(F)F)c(C(OC)OC)nc32)ncc1C#N.
What is the InChIKey of 1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide?
The InChIKey is ZSYLKKAHEOVLKW-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H25F2N5O5/c1-31-7-8-34-16-10-17(27-12-14(16)11-25)29(22(26)30)6-4-5-13-9-15(19(23)24)18(28-20(13)29)21(32-2)33-3/h9-10,12,19,21H,4-8H2,1-3H3,(H-,26,30)/p+1.
What are the key properties of 1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide?
1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide has a molecular weight of 478.48 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide is sourced from PubChem (CID 118038402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).