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

C18H19ClN5O3+ — CID 118038992

IUPAC1-(4-chloro-5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
SMILESCOC(OC)c1ccc2c(n1)[N+](C(N)=O)(c1cc(Cl)c(C#N)cn1)CCC2
InChIInChI=1S/C18H18ClN5O3/c1-26-17(27-2)14-6-5-11-4-3-7-24(18(21)25,16(11)23-14)15-8-13(19)12(9-20)10-22-15/h5-6,8,10,17H,3-4,7H2,1-2H3,(H-,21,25)/p+1
InChIKeyAJELBOFLDLEDLO-UHFFFAOYSA-O
MW388.84 g/mol
LogP2.96
Rot. Bonds4

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

1-(4-chloro-5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide (PubChem CID 118038992) has the molecular formula C18H19ClN5O3+ and a molecular weight of 388.84 g/mol. Its IUPAC name is 1-(4-chloro-5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
PubChem CID118038992
Molecular FormulaC18H19ClN5O3+
Molecular Weight388.84 g/mol
Exact Mass388.12
IUPAC Name1-(4-chloro-5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
SMILESCOC(OC)c1ccc2c(n1)[N+](C(N)=O)(c1cc(Cl)c(C#N)cn1)CCC2
InChIInChI=1S/C18H18ClN5O3/c1-26-17(27-2)14-6-5-11-4-3-7-24(18(21)25,16(11)23-14)15-8-13(19)12(9-20)10-22-15/h5-6,8,10,17H,3-4,7H2,1-2H3,(H-,21,25)/p+1
InChIKeyAJELBOFLDLEDLO-UHFFFAOYSA-O
XLogP2.96
TPSA111.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.84
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(4-chloro-5-cyano-2-pyridinyl)-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

1-(5-cyanopyrazin-2-yl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
CID 118038825
1-[5-cyano-4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
CID 118038379
1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
CID 118038217
1-[5-cyano-4-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
CID 118038746
1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
CID 118038612
1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[(dimethylamino)methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
CID 118038401
1-[5-cyano-4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
CID 118038691
N-(5-cyano-4-ethoxy-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036235
2-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-cyano-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 142796630
N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036666
2-[5-cyano-4-(oxolan-3-yloxy)pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 142796637
N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 155758545

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide?
The IUPAC name of 1-(4-chloro-5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide (CID 118038992) is 1-(4-chloro-5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide.
What is the SMILES notation for 1-(4-chloro-5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide?
The canonical SMILES for 1-(4-chloro-5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide is COC(OC)c1ccc2c(n1)[N+](C(N)=O)(c1cc(Cl)c(C#N)cn1)CCC2.
What is the InChIKey of 1-(4-chloro-5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide?
The InChIKey is AJELBOFLDLEDLO-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18ClN5O3/c1-26-17(27-2)14-6-5-11-4-3-7-24(18(21)25,16(11)23-14)15-8-13(19)12(9-20)10-22-15/h5-6,8,10,17H,3-4,7H2,1-2H3,(H-,21,25)/p+1.
What are the key properties of 1-(4-chloro-5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide?
1-(4-chloro-5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide has a molecular weight of 388.84 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide is sourced from PubChem (CID 118038992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).