4-chloro-3-nitro-1,5-naphthyridine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;1-(2-methylpropyl)-5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium;3-nitro-1H-1,5-naphthyridin-4-one

C79H82ClN27O8 — CID 162015728

IUPAC4-chloro-3-nitro-1,5-naphthyridine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;1-(2-methylpropyl)-5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium;3-nitro-1H-1,5-naphthyridin-4-one
SMILESCC(C)CNc1c(N)cnc2cccnc12.CC(C)CNc1c([N+](=O)[O-])cnc2cccnc12.CC(C)Cn1cnc2c(N)nc3cccnc3c21.CC(C)Cn1cnc2c[n+]([O-])c3cccnc3c21.CC(C)Cn1cnc2cnc3cccnc3c21.O=[N+]([O-])c1cnc2cccnc2c1Cl.O=c1c([N+](=O)[O-])c[nH]c2cccnc12
InChIInChI=1S/C13H15N5.C13H14N4O.C13H14N4.C12H14N4O2.C12H16N4.C8H4ClN3O2.C8H5N3O3/c1-8(2)6-18-7-16-11-12(18)10-9(17-13(11)14)4-3-5-15-10;1-9(2)6-16-8-15-10-7-17(18)11-4-3-5-14-12(11)13(10)16;1-9(2)7-17-8-16-11-6-15-10-4-3-5-14-12(10)13(11)17;1-8(2)6-15-12-10(16(17)18)7-14-9-4-3-5-13-11(9)12;1-8(2)6-16-11-9(13)7-15-10-4-3-5-14-12(10)11;9-7-6(12(13)14)4-11-5-2-1-3-10-8(5)7;12-8-6(11(13)14)4-10-5-2-1-3-9-7(5)8/h3-5,7-8H,6H2,1-2H3,(H2,14,17);3-5,7-9H,6H2,1-2H3;3-6,8-9H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H,14,15);3-5,7-8H,6,13H2,1-2H3,(H,15,16);1-4H;1-4H,(H,10,12)
InChIKeyYUBRFYAZRIJECW-UHFFFAOYSA-N
MW1573.16 g/mol
LogP14.64
Rot. Bonds15

About 4-chloro-3-nitro-1,5-naphthyridine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;1-(2-methylpropyl)-5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium;3-nitro-1H-1,5-naphthyridin-4-one

4-chloro-3-nitro-1,5-naphthyridine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;1-(2-methylpropyl)-5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium;3-nitro-1H-1,5-naphthyridin-4-one (PubChem CID 162015728) has the molecular formula C79H82ClN27O8 and a molecular weight of 1573.16 g/mol. Its IUPAC name is 4-chloro-3-nitro-1,5-naphthyridine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;1-(2-methylpropyl)-5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium;3-nitro-1H-1,5-naphthyridin-4-one.

Molecular Properties

Compound Name4-chloro-3-nitro-1,5-naphthyridine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;1-(2-methylpropyl)-5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium;3-nitro-1H-1,5-naphthyridin-4-one
PubChem CID162015728
Molecular FormulaC79H82ClN27O8
Molecular Weight1573.16 g/mol
Exact Mass1571.65
IUPAC Name4-chloro-3-nitro-1,5-naphthyridine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;1-(2-methylpropyl)-5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium;3-nitro-1H-1,5-naphthyridin-4-one
SMILESCC(C)CNc1c(N)cnc2cccnc12.CC(C)CNc1c([N+](=O)[O-])cnc2cccnc12.CC(C)Cn1cnc2c(N)nc3cccnc3c21.CC(C)Cn1cnc2c[n+]([O-])c3cccnc3c21.CC(C)Cn1cnc2cnc3cccnc3c21.O=[N+]([O-])c1cnc2cccnc2c1Cl.O=c1c([N+](=O)[O-])c[nH]c2cccnc12
InChIInChI=1S/C13H15N5.C13H14N4O.C13H14N4.C12H14N4O2.C12H16N4.C8H4ClN3O2.C8H5N3O3/c1-8(2)6-18-7-16-11-12(18)10-9(17-13(11)14)4-3-5-15-10;1-9(2)6-16-8-15-10-7-17(18)11-4-3-5-14-12(11)13(10)16;1-9(2)7-17-8-16-11-6-15-10-4-3-5-14-12(10)13(11)17;1-8(2)6-15-12-10(16(17)18)7-14-9-4-3-5-13-11(9)12;1-8(2)6-16-11-9(13)7-15-10-4-3-5-14-12(10)11;9-7-6(12(13)14)4-11-5-2-1-3-10-8(5)7;12-8-6(11(13)14)4-10-5-2-1-3-9-7(5)8/h3-5,7-8H,6H2,1-2H3,(H2,14,17);3-5,7-9H,6H2,1-2H3;3-6,8-9H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H,14,15);3-5,7-8H,6,13H2,1-2H3,(H,15,16);1-4H;1-4H,(H,10,12)
InChIKeyYUBRFYAZRIJECW-UHFFFAOYSA-N
XLogP14.64
TPSA473.46 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds15
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001573.16
LogP ≤ 514.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-1,5-naphthyridine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;1-(2-methylpropyl)-5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium;3-nitro-1H-1,5-naphthyridin-4-one?
The IUPAC name of 4-chloro-3-nitro-1,5-naphthyridine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;1-(2-methylpropyl)-5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium;3-nitro-1H-1,5-naphthyridin-4-one (CID 162015728) is 4-chloro-3-nitro-1,5-naphthyridine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;1-(2-methylpropyl)-5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium;3-nitro-1H-1,5-naphthyridin-4-one.
What is the SMILES notation for 4-chloro-3-nitro-1,5-naphthyridine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;1-(2-methylpropyl)-5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium;3-nitro-1H-1,5-naphthyridin-4-one?
The canonical SMILES for 4-chloro-3-nitro-1,5-naphthyridine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;1-(2-methylpropyl)-5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium;3-nitro-1H-1,5-naphthyridin-4-one is CC(C)CNc1c(N)cnc2cccnc12.CC(C)CNc1c([N+](=O)[O-])cnc2cccnc12.CC(C)Cn1cnc2c(N)nc3cccnc3c21.CC(C)Cn1cnc2c[n+]([O-])c3cccnc3c21.CC(C)Cn1cnc2cnc3cccnc3c21.O=[N+]([O-])c1cnc2cccnc2c1Cl.O=c1c([N+](=O)[O-])c[nH]c2cccnc12.
What is the InChIKey of 4-chloro-3-nitro-1,5-naphthyridine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;1-(2-methylpropyl)-5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium;3-nitro-1H-1,5-naphthyridin-4-one?
The InChIKey is YUBRFYAZRIJECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5.C13H14N4O.C13H14N4.C12H14N4O2.C12H16N4.C8H4ClN3O2.C8H5N3O3/c1-8(2)6-18-7-16-11-12(18)10-9(17-13(11)14)4-3-5-15-10;1-9(2)6-16-8-15-10-7-17(18)11-4-3-5-14-12(11)13(10)16;1-9(2)7-17-8-16-11-6-15-10-4-3-5-14-12(10)13(11)17;1-8(2)6-15-12-10(16(17)18)7-14-9-4-3-5-13-11(9)12;1-8(2)6-16-11-9(13)7-15-10-4-3-5-14-12(10)11;9-7-6(12(13)14)4-11-5-2-1-3-10-8(5)7;12-8-6(11(13)14)4-10-5-2-1-3-9-7(5)8/h3-5,7-8H,6H2,1-2H3,(H2,14,17);3-5,7-9H,6H2,1-2H3;3-6,8-9H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H,14,15);3-5,7-8H,6,13H2,1-2H3,(H,15,16);1-4H;1-4H,(H,10,12).
What are the key properties of 4-chloro-3-nitro-1,5-naphthyridine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;1-(2-methylpropyl)-5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium;3-nitro-1H-1,5-naphthyridin-4-one?
4-chloro-3-nitro-1,5-naphthyridine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;1-(2-methylpropyl)-5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium;3-nitro-1H-1,5-naphthyridin-4-one has a molecular weight of 1573.16 g/mol, XLogP of 14.64, 15 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-1,5-naphthyridine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;1-(2-methylpropyl)-5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium;3-nitro-1H-1,5-naphthyridin-4-one is sourced from PubChem (CID 162015728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).