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

C19H20N5O4+ — CID 118038776

IUPAC1-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1C=O)CCC[N+]2(C(N)=O)c1ccc(C#N)cn1
InChIInChI=1S/C19H19N5O4/c1-27-18(28-2)16-14(11-25)8-13-4-3-7-24(19(21)26,17(13)23-16)15-6-5-12(9-20)10-22-15/h5-6,8,10-11,18H,3-4,7H2,1-2H3,(H-,21,26)/p+1
InChIKeyGLPGAVGPUAAUNP-UHFFFAOYSA-O
MW382.40 g/mol
LogP2.12
Rot. Bonds5

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

1-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide (PubChem CID 118038776) has the molecular formula C19H20N5O4+ and a molecular weight of 382.40 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
PubChem CID118038776
Molecular FormulaC19H20N5O4+
Molecular Weight382.40 g/mol
Exact Mass382.15
IUPAC Name1-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1C=O)CCC[N+]2(C(N)=O)c1ccc(C#N)cn1
InChIInChI=1S/C19H19N5O4/c1-27-18(28-2)16-14(11-25)8-13-4-3-7-24(19(21)26,17(13)23-16)15-6-5-12(9-20)10-22-15/h5-6,8,10-11,18H,3-4,7H2,1-2H3,(H-,21,26)/p+1
InChIKeyGLPGAVGPUAAUNP-UHFFFAOYSA-O
XLogP2.12
TPSA128.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide (CID 118038776) is 1-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-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#N)cn1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide?
The InChIKey is GLPGAVGPUAAUNP-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19N5O4/c1-27-18(28-2)16-14(11-25)8-13-4-3-7-24(19(21)26,17(13)23-16)15-6-5-12(9-20)10-22-15/h5-6,8,10-11,18H,3-4,7H2,1-2H3,(H-,21,26)/p+1.
What are the key properties of 1-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide?
1-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide is sourced from PubChem (CID 118038776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).