5-[[3-[(2-ethoxyacetyl)amino]-1,5-naphthyridin-4-yl]amino]pentyl acetate;hydrochloride

C19H27ClN4O4 — CID 69184819

IUPAC5-[[3-[(2-ethoxyacetyl)amino]-1,5-naphthyridin-4-yl]amino]pentyl acetate;hydrochloride
SMILESCCOCC(=O)Nc1cnc2cccnc2c1NCCCCCOC(C)=O.Cl
InChIInChI=1S/C19H26N4O4.ClH/c1-3-26-13-17(25)23-16-12-22-15-8-7-10-21-18(15)19(16)20-9-5-4-6-11-27-14(2)24;/h7-8,10,12H,3-6,9,11,13H2,1-2H3,(H,20,22)(H,23,25);1H
InChIKeyWXSRNUDIGDMIIJ-UHFFFAOYSA-N
MW410.90 g/mol
LogP3.17
Rot. Bonds11

About 5-[[3-[(2-ethoxyacetyl)amino]-1,5-naphthyridin-4-yl]amino]pentyl acetate;hydrochloride

5-[[3-[(2-ethoxyacetyl)amino]-1,5-naphthyridin-4-yl]amino]pentyl acetate;hydrochloride (PubChem CID 69184819) has the molecular formula C19H27ClN4O4 and a molecular weight of 410.90 g/mol. Its IUPAC name is 5-[[3-[(2-ethoxyacetyl)amino]-1,5-naphthyridin-4-yl]amino]pentyl acetate;hydrochloride.

Molecular Properties

Compound Name5-[[3-[(2-ethoxyacetyl)amino]-1,5-naphthyridin-4-yl]amino]pentyl acetate;hydrochloride
PubChem CID69184819
Molecular FormulaC19H27ClN4O4
Molecular Weight410.90 g/mol
Exact Mass410.17
IUPAC Name5-[[3-[(2-ethoxyacetyl)amino]-1,5-naphthyridin-4-yl]amino]pentyl acetate;hydrochloride
SMILESCCOCC(=O)Nc1cnc2cccnc2c1NCCCCCOC(C)=O.Cl
InChIInChI=1S/C19H26N4O4.ClH/c1-3-26-13-17(25)23-16-12-22-15-8-7-10-21-18(15)19(16)20-9-5-4-6-11-27-14(2)24;/h7-8,10,12H,3-6,9,11,13H2,1-2H3,(H,20,22)(H,23,25);1H
InChIKeyWXSRNUDIGDMIIJ-UHFFFAOYSA-N
XLogP3.17
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 53.17
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-(2-methoxyethylamino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate
CID 5974996
N-(3-morpholin-4-ylpropyl)-1,5-naphthyridin-4-amine
CID 155546135
(2R)-N-(1,5-naphthyridin-4-yl)oxolane-2-carboxamide
CID 132319088
N-(4-Phenylmethylamino[1,5]naphthyridin-3-yl)-ethoxyacetamide hydrochloride
CID 22172665
N-[4-(benzylamino)-1,5-naphthyridin-3-yl]-2-ethoxyacetamide
CID 22172666
N-[4-(2-methylpropylamino)-1,5-naphthyridin-3-yl]pentanamide;hydrochloride
CID 22172673
tert-butyl N-{2-[(3-amino[1,5]naphthyridin-4-yl)amino]ethyl}carbamate
CID 22172710
Tert-butyl 4-[(3-amino[1,5]naphthyridin-4-yl)amino]butylcarbamate
CID 22172729
N4-(3-butoxypropyl)[1,5]naphthyridine-3,4-diamine
CID 53893245
2-(1,5-naphthyridin-4-ylamino)-N,N-dipropylacetamide
CID 57151966
Ethyl 4-(3-amino[1,5]naphthyridin-4-ylamino)butanoate
CID 57455388
Ethyl 1-[[[3-[(2-ethoxyacetyl)amino]quinolin-4-yl]amino]methyl]cyclopropane-1-carboxylate;hydrochloride
CID 57515498

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(2-ethoxyacetyl)amino]-1,5-naphthyridin-4-yl]amino]pentyl acetate;hydrochloride?
The IUPAC name of 5-[[3-[(2-ethoxyacetyl)amino]-1,5-naphthyridin-4-yl]amino]pentyl acetate;hydrochloride (CID 69184819) is 5-[[3-[(2-ethoxyacetyl)amino]-1,5-naphthyridin-4-yl]amino]pentyl acetate;hydrochloride.
What is the SMILES notation for 5-[[3-[(2-ethoxyacetyl)amino]-1,5-naphthyridin-4-yl]amino]pentyl acetate;hydrochloride?
The canonical SMILES for 5-[[3-[(2-ethoxyacetyl)amino]-1,5-naphthyridin-4-yl]amino]pentyl acetate;hydrochloride is CCOCC(=O)Nc1cnc2cccnc2c1NCCCCCOC(C)=O.Cl.
What is the InChIKey of 5-[[3-[(2-ethoxyacetyl)amino]-1,5-naphthyridin-4-yl]amino]pentyl acetate;hydrochloride?
The InChIKey is WXSRNUDIGDMIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4.ClH/c1-3-26-13-17(25)23-16-12-22-15-8-7-10-21-18(15)19(16)20-9-5-4-6-11-27-14(2)24;/h7-8,10,12H,3-6,9,11,13H2,1-2H3,(H,20,22)(H,23,25);1H.
What are the key properties of 5-[[3-[(2-ethoxyacetyl)amino]-1,5-naphthyridin-4-yl]amino]pentyl acetate;hydrochloride?
5-[[3-[(2-ethoxyacetyl)amino]-1,5-naphthyridin-4-yl]amino]pentyl acetate;hydrochloride has a molecular weight of 410.90 g/mol, XLogP of 3.17, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(2-ethoxyacetyl)amino]-1,5-naphthyridin-4-yl]amino]pentyl acetate;hydrochloride is sourced from PubChem (CID 69184819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).