1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea

C22H33N7O — CID 10001667

IUPAC1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea
SMILESCCCCNC(=O)NCCCCn1c(CCCC)nc2c(N)nc3cccnc3c21
InChIInChI=1S/C22H33N7O/c1-3-5-11-17-28-19-20(18-16(27-21(19)23)10-9-14-24-18)29(17)15-8-7-13-26-22(30)25-12-6-4-2/h9-10,14H,3-8,11-13,15H2,1-2H3,(H2,23,27)(H2,25,26,30)
InChIKeyRKHPJMXDRRZPGD-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.78
Rot. Bonds11

About 1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea

1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea (PubChem CID 10001667) has the molecular formula C22H33N7O and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea.

Molecular Properties

Compound Name1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea
PubChem CID10001667
Molecular FormulaC22H33N7O
Molecular Weight411.55 g/mol
Exact Mass411.27
IUPAC Name1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea
SMILESCCCCNC(=O)NCCCCn1c(CCCC)nc2c(N)nc3cccnc3c21
InChIInChI=1S/C22H33N7O/c1-3-5-11-17-28-19-20(18-16(27-21(19)23)10-9-14-24-18)29(17)15-8-7-13-26-22(30)25-12-6-4-2/h9-10,14H,3-8,11-13,15H2,1-2H3,(H2,23,27)(H2,25,26,30)
InChIKeyRKHPJMXDRRZPGD-UHFFFAOYSA-N
XLogP3.78
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]acetamide
CID 20628617
tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
CID 22172751
2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine
CID 155067176
1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea
CID 22985761
1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
CID 18616841
4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid
CID 135137543
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide
CID 58869112
1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[(3-methylphenyl)methyl]urea;molecular hydrogen
CID 158694764
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
N-[4-(4-amino-2-ethylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-4-pyrrolidin-1-ylbenzamide
CID 154682588
2-butyl-1-[4-(quinolin-8-ylsulfanylamino)butyl]imidazo[4,5-c]quinolin-4-amine
CID 142033092

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea?
The IUPAC name of 1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea (CID 10001667) is 1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea.
What is the SMILES notation for 1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea?
The canonical SMILES for 1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea is CCCCNC(=O)NCCCCn1c(CCCC)nc2c(N)nc3cccnc3c21.
What is the InChIKey of 1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea?
The InChIKey is RKHPJMXDRRZPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7O/c1-3-5-11-17-28-19-20(18-16(27-21(19)23)10-9-14-24-18)29(17)15-8-7-13-26-22(30)25-12-6-4-2/h9-10,14H,3-8,11-13,15H2,1-2H3,(H2,23,27)(H2,25,26,30).
What are the key properties of 1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea?
1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea has a molecular weight of 411.55 g/mol, XLogP of 3.78, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea is sourced from PubChem (CID 10001667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).