2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine

C16H22N6 — CID 155067176

IUPAC2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine
SMILESCCc1nc2c(N)nc3cccnc3c2n1CCCCNC
InChIInChI=1S/C16H22N6/c1-3-12-21-14-15(22(12)10-5-4-8-18-2)13-11(20-16(14)17)7-6-9-19-13/h6-7,9,18H,3-5,8,10H2,1-2H3,(H2,17,20)
InChIKeyLIWMPUWFAZDFRO-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.12
Rot. Bonds6

About 2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine

2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine (PubChem CID 155067176) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine.

Molecular Properties

Compound Name2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine
PubChem CID155067176
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine
SMILESCCc1nc2c(N)nc3cccnc3c2n1CCCCNC
InChIInChI=1S/C16H22N6/c1-3-12-21-14-15(22(12)10-5-4-8-18-2)13-11(20-16(14)17)7-6-9-19-13/h6-7,9,18H,3-5,8,10H2,1-2H3,(H2,17,20)
InChIKeyLIWMPUWFAZDFRO-UHFFFAOYSA-N
XLogP2.12
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea
CID 10001667
N-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]acetamide
CID 20628617
N-[4-(4-amino-2-ethylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-4-pyrrolidin-1-ylbenzamide
CID 154682588
4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide
CID 68999199
2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 142032833
CID 165070201
CID 165070201
1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 154682639
tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
CID 22172751
1-(2-aminoethyl)-2-(methoxymethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine
CID 68936410
4-amino-N-[4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-methoxybenzamide
CID 162737189
N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]pyrazine-2-carboxamide
CID 154682733
1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride
CID 68933255

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine?
The IUPAC name of 2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine (CID 155067176) is 2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine.
What is the SMILES notation for 2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine?
The canonical SMILES for 2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine is CCc1nc2c(N)nc3cccnc3c2n1CCCCNC.
What is the InChIKey of 2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine?
The InChIKey is LIWMPUWFAZDFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-3-12-21-14-15(22(12)10-5-4-8-18-2)13-11(20-16(14)17)7-6-9-19-13/h6-7,9,18H,3-5,8,10H2,1-2H3,(H2,17,20).
What are the key properties of 2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine?
2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine is sourced from PubChem (CID 155067176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).