N-[4-(4-amino-2-ethylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-4-pyrrolidin-1-ylbenzamide

C26H31N7O — CID 154682588

IUPACN-[4-(4-amino-2-ethylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-4-pyrrolidin-1-ylbenzamide
SMILESCCc1nc2c(N)nc3cccnc3c2n1CCCCNC(=O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C26H31N7O/c1-2-21-31-23-24(22-20(30-25(23)27)8-7-14-28-22)33(21)17-4-3-13-29-26(34)18-9-11-19(12-10-18)32-15-5-6-16-32/h7-12,14H,2-6,13,15-17H2,1H3,(H2,27,30)(H,29,34)
InChIKeyZRPSFMUJJUWTSY-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.93
Rot. Bonds8

About N-[4-(4-amino-2-ethylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-4-pyrrolidin-1-ylbenzamide

N-[4-(4-amino-2-ethylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-4-pyrrolidin-1-ylbenzamide (PubChem CID 154682588) has the molecular formula C26H31N7O and a molecular weight of 457.58 g/mol. Its IUPAC name is N-[4-(4-amino-2-ethylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-ethylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-4-pyrrolidin-1-ylbenzamide
PubChem CID154682588
Molecular FormulaC26H31N7O
Molecular Weight457.58 g/mol
Exact Mass457.26
IUPAC NameN-[4-(4-amino-2-ethylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-4-pyrrolidin-1-ylbenzamide
SMILESCCc1nc2c(N)nc3cccnc3c2n1CCCCNC(=O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C26H31N7O/c1-2-21-31-23-24(22-20(30-25(23)27)8-7-14-28-22)33(21)17-4-3-13-29-26(34)18-9-11-19(12-10-18)32-15-5-6-16-32/h7-12,14H,2-6,13,15-17H2,1H3,(H2,27,30)(H,29,34)
InChIKeyZRPSFMUJJUWTSY-UHFFFAOYSA-N
XLogP3.93
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine
CID 155067176
4-amino-N-[4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-methoxybenzamide
CID 162737189
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]quinolin-1-yl)butyl]-4-(dimethylamino)-3,5-difluorobenzamide
CID 162372952
N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]pyrazine-2-carboxamide
CID 154682733
tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
CID 22172751
CID 165070201
CID 165070201
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide
CID 58869112
4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide
CID 68999199
N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[(diaminomethylideneamino)methyl]benzamide
CID 135317306

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-ethylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[4-(4-amino-2-ethylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-4-pyrrolidin-1-ylbenzamide (CID 154682588) is N-[4-(4-amino-2-ethylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[4-(4-amino-2-ethylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[4-(4-amino-2-ethylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-4-pyrrolidin-1-ylbenzamide is CCc1nc2c(N)nc3cccnc3c2n1CCCCNC(=O)c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-[4-(4-amino-2-ethylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is ZRPSFMUJJUWTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O/c1-2-21-31-23-24(22-20(30-25(23)27)8-7-14-28-22)33(21)17-4-3-13-29-26(34)18-9-11-19(12-10-18)32-15-5-6-16-32/h7-12,14H,2-6,13,15-17H2,1H3,(H2,27,30)(H,29,34).
What are the key properties of N-[4-(4-amino-2-ethylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-4-pyrrolidin-1-ylbenzamide?
N-[4-(4-amino-2-ethylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 457.58 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-ethylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 154682588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).