N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide

C24H28N6O2 — CID 58869112

IUPACN-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide
SMILESCCCc1nc2c(N)nc3cccnc3c2n1CCCCN(OC)C(=O)c1ccccc1
InChIInChI=1S/C24H28N6O2/c1-3-10-19-28-21-22(20-18(27-23(21)25)13-9-14-26-20)29(19)15-7-8-16-30(32-2)24(31)17-11-5-4-6-12-17/h4-6,9,11-14H,3,7-8,10,15-16H2,1-2H3,(H2,25,27)
InChIKeyAMZGTMZZAUQLLY-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.00
Rot. Bonds9

About N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide

N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide (PubChem CID 58869112) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide
PubChem CID58869112
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC NameN-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide
SMILESCCCc1nc2c(N)nc3cccnc3c2n1CCCCN(OC)C(=O)c1ccccc1
InChIInChI=1S/C24H28N6O2/c1-3-10-19-28-21-22(20-18(27-23(21)25)13-9-14-26-20)29(19)15-7-8-16-30(32-2)24(31)17-11-5-4-6-12-17/h4-6,9,11-14H,3,7-8,10,15-16H2,1-2H3,(H2,25,27)
InChIKeyAMZGTMZZAUQLLY-UHFFFAOYSA-N
XLogP4.00
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea
CID 58869094
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
1-[4-[methoxy(methylsulfanyl)amino]butyl]-2-propylimidazo[4,5-c]quinolin-4-amine
CID 143056437
N-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide
CID 87867662
tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
CID 22172751
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
1-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]pentan-2-yl]-1-methoxy-3-propan-2-ylurea
CID 58869102
2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine
CID 155067176
1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride
CID 68933255
4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide
CID 68999199

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide?
The IUPAC name of N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide (CID 58869112) is N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide.
What is the SMILES notation for N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide?
The canonical SMILES for N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide is CCCc1nc2c(N)nc3cccnc3c2n1CCCCN(OC)C(=O)c1ccccc1.
What is the InChIKey of N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide?
The InChIKey is AMZGTMZZAUQLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-3-10-19-28-21-22(20-18(27-23(21)25)13-9-14-26-20)29(19)15-7-8-16-30(32-2)24(31)17-11-5-4-6-12-17/h4-6,9,11-14H,3,7-8,10,15-16H2,1-2H3,(H2,25,27).
What are the key properties of N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide?
N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide has a molecular weight of 432.53 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide is sourced from PubChem (CID 58869112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).