2,2-dimethyl-N-[4-(5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium-1-yl)butyl]propanamide

C18H23N5O2 — CID 21255106

IUPAC2,2-dimethyl-N-[4-(5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium-1-yl)butyl]propanamide
SMILESCC(C)(C)C(=O)NCCCCn1cnc2c[n+]([O-])c3cccnc3c21
InChIInChI=1S/C18H23N5O2/c1-18(2,3)17(24)20-8-4-5-10-22-12-21-13-11-23(25)14-7-6-9-19-15(14)16(13)22/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,20,24)
InChIKeyFIJRKBQQDIJBIP-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.16
Rot. Bonds5

About 2,2-dimethyl-N-[4-(5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium-1-yl)butyl]propanamide

2,2-dimethyl-N-[4-(5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium-1-yl)butyl]propanamide (PubChem CID 21255106) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium-1-yl)butyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium-1-yl)butyl]propanamide
PubChem CID21255106
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2,2-dimethyl-N-[4-(5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium-1-yl)butyl]propanamide
SMILESCC(C)(C)C(=O)NCCCCn1cnc2c[n+]([O-])c3cccnc3c21
InChIInChI=1S/C18H23N5O2/c1-18(2,3)17(24)20-8-4-5-10-22-12-21-13-11-23(25)14-7-6-9-19-15(14)16(13)22/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,20,24)
InChIKeyFIJRKBQQDIJBIP-UHFFFAOYSA-N
XLogP2.16
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium-1-yl)butyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium-1-yl)butyl]propanamide (CID 21255106) is 2,2-dimethyl-N-[4-(5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium-1-yl)butyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium-1-yl)butyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium-1-yl)butyl]propanamide is CC(C)(C)C(=O)NCCCCn1cnc2c[n+]([O-])c3cccnc3c21.
What is the InChIKey of 2,2-dimethyl-N-[4-(5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium-1-yl)butyl]propanamide?
The InChIKey is FIJRKBQQDIJBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-18(2,3)17(24)20-8-4-5-10-22-12-21-13-11-23(25)14-7-6-9-19-15(14)16(13)22/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,20,24).
What are the key properties of 2,2-dimethyl-N-[4-(5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium-1-yl)butyl]propanamide?
2,2-dimethyl-N-[4-(5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium-1-yl)butyl]propanamide has a molecular weight of 341.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium-1-yl)butyl]propanamide is sourced from PubChem (CID 21255106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).