4-amino-N-[4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-methoxybenzamide

C24H29N7O3 — CID 162737189

IUPAC4-amino-N-[4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-methoxybenzamide
SMILESCCOCc1nc2c(N)nc3cccnc3c2n1CCCCNC(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C24H29N7O3/c1-3-34-14-19-30-21-22(20-17(29-23(21)26)7-6-11-27-20)31(19)12-5-4-10-28-24(32)15-8-9-16(25)18(13-15)33-2/h6-9,11,13H,3-5,10,12,14,25H2,1-2H3,(H2,26,29)(H,28,32)
InChIKeyOHORTKVHTAAZRI-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.90
Rot. Bonds10

About 4-amino-N-[4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-methoxybenzamide

4-amino-N-[4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-methoxybenzamide (PubChem CID 162737189) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 4-amino-N-[4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-[4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-methoxybenzamide
PubChem CID162737189
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name4-amino-N-[4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-methoxybenzamide
SMILESCCOCc1nc2c(N)nc3cccnc3c2n1CCCCNC(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C24H29N7O3/c1-3-34-14-19-30-21-22(20-17(29-23(21)26)7-6-11-27-20)31(19)12-5-4-10-28-24(32)15-8-9-16(25)18(13-15)33-2/h6-9,11,13H,3-5,10,12,14,25H2,1-2H3,(H2,26,29)(H,28,32)
InChIKeyOHORTKVHTAAZRI-UHFFFAOYSA-N
XLogP2.90
TPSA143.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide
CID 68999199
N-[4-(4-amino-2-ethylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-4-pyrrolidin-1-ylbenzamide
CID 154682588
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
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
2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine
CID 155067176
N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]naphthalene-2-carboxamide
CID 22729666
N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide
CID 172692306
2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
CID 146308241
1-(2-aminoethyl)-2-(methoxymethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine
CID 68936410
tert-butyl N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
CID 10046489
tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
CID 22172751

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-methoxybenzamide?
The IUPAC name of 4-amino-N-[4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-methoxybenzamide (CID 162737189) is 4-amino-N-[4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-[4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-[4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-methoxybenzamide is CCOCc1nc2c(N)nc3cccnc3c2n1CCCCNC(=O)c1ccc(N)c(OC)c1.
What is the InChIKey of 4-amino-N-[4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-methoxybenzamide?
The InChIKey is OHORTKVHTAAZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-3-34-14-19-30-21-22(20-17(29-23(21)26)7-6-11-27-20)31(19)12-5-4-10-28-24(32)15-8-9-16(25)18(13-15)33-2/h6-9,11,13H,3-5,10,12,14,25H2,1-2H3,(H2,26,29)(H,28,32).
What are the key properties of 4-amino-N-[4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-methoxybenzamide?
4-amino-N-[4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-methoxybenzamide has a molecular weight of 463.54 g/mol, XLogP of 2.90, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-methoxybenzamide is sourced from PubChem (CID 162737189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).