benzyl N-[3-[(8-amino-1,5-naphthyridin-2-yl)oxy]propyl]carbamate;hydrochloride

C19H21ClN4O3 — CID 162323367

IUPACbenzyl N-[3-[(8-amino-1,5-naphthyridin-2-yl)oxy]propyl]carbamate;hydrochloride
SMILESCl.Nc1ccnc2ccc(OCCCNC(=O)OCc3ccccc3)nc12
InChIInChI=1S/C19H20N4O3.ClH/c20-15-9-11-21-16-7-8-17(23-18(15)16)25-12-4-10-22-19(24)26-13-14-5-2-1-3-6-14;/h1-3,5-9,11H,4,10,12-13H2,(H2,20,21)(H,22,24);1H
InChIKeyPGWWDFAOGRAOFQ-UHFFFAOYSA-N
MW388.86 g/mol
LogP3.33
Rot. Bonds7

About benzyl N-[3-[(8-amino-1,5-naphthyridin-2-yl)oxy]propyl]carbamate;hydrochloride

benzyl N-[3-[(8-amino-1,5-naphthyridin-2-yl)oxy]propyl]carbamate;hydrochloride (PubChem CID 162323367) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is benzyl N-[3-[(8-amino-1,5-naphthyridin-2-yl)oxy]propyl]carbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-[3-[(8-amino-1,5-naphthyridin-2-yl)oxy]propyl]carbamate;hydrochloride
PubChem CID162323367
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Namebenzyl N-[3-[(8-amino-1,5-naphthyridin-2-yl)oxy]propyl]carbamate;hydrochloride
SMILESCl.Nc1ccnc2ccc(OCCCNC(=O)OCc3ccccc3)nc12
InChIInChI=1S/C19H20N4O3.ClH/c20-15-9-11-21-16-7-8-17(23-18(15)16)25-12-4-10-22-19(24)26-13-14-5-2-1-3-6-14;/h1-3,5-9,11H,4,10,12-13H2,(H2,20,21)(H,22,24);1H
InChIKeyPGWWDFAOGRAOFQ-UHFFFAOYSA-N
XLogP3.33
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 53.33
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

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benzyl N-[2-(3-iodophenoxy)ethyl]carbamate
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benzyl N-(8-bromooctyl)carbamate
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3-(phenylmethoxycarbonylamino)propyl N-[[3-[[3-(phenylmethoxycarbonylamino)propoxycarbonylamino]methyl]phenyl]methyl]carbamate
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hydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium
CID 19090886
benzyl N-[6-(methylamino)hexyl]carbamate
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benzyl N-[3-(diethylamino)propyl]carbamate
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benzyl N-(2-benzamidoethyl)carbamate
CID 12715872

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(8-amino-1,5-naphthyridin-2-yl)oxy]propyl]carbamate;hydrochloride?
The IUPAC name of benzyl N-[3-[(8-amino-1,5-naphthyridin-2-yl)oxy]propyl]carbamate;hydrochloride (CID 162323367) is benzyl N-[3-[(8-amino-1,5-naphthyridin-2-yl)oxy]propyl]carbamate;hydrochloride.
What is the SMILES notation for benzyl N-[3-[(8-amino-1,5-naphthyridin-2-yl)oxy]propyl]carbamate;hydrochloride?
The canonical SMILES for benzyl N-[3-[(8-amino-1,5-naphthyridin-2-yl)oxy]propyl]carbamate;hydrochloride is Cl.Nc1ccnc2ccc(OCCCNC(=O)OCc3ccccc3)nc12.
What is the InChIKey of benzyl N-[3-[(8-amino-1,5-naphthyridin-2-yl)oxy]propyl]carbamate;hydrochloride?
The InChIKey is PGWWDFAOGRAOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3.ClH/c20-15-9-11-21-16-7-8-17(23-18(15)16)25-12-4-10-22-19(24)26-13-14-5-2-1-3-6-14;/h1-3,5-9,11H,4,10,12-13H2,(H2,20,21)(H,22,24);1H.
What are the key properties of benzyl N-[3-[(8-amino-1,5-naphthyridin-2-yl)oxy]propyl]carbamate;hydrochloride?
benzyl N-[3-[(8-amino-1,5-naphthyridin-2-yl)oxy]propyl]carbamate;hydrochloride has a molecular weight of 388.86 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(8-amino-1,5-naphthyridin-2-yl)oxy]propyl]carbamate;hydrochloride is sourced from PubChem (CID 162323367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).