(2S)-5,6-diamino-8-(diethylamino)-2-ethyl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-4,7-diium-9-carbonitrile

C17H24N6O+2 — CID 2117481

IUPAC(2S)-5,6-diamino-8-(diethylamino)-2-ethyl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-4,7-diium-9-carbonitrile
SMILESCC[C@H]1Cc2c([nH+]c(N)c3c(N)[nH+]c(N(CC)CC)c(C#N)c23)O1
InChIInChI=1S/C17H22N6O/c1-4-9-7-10-12-11(8-18)16(23(5-2)6-3)21-14(19)13(12)15(20)22-17(10)24-9/h9H,4-7H2,1-3H3,(H2,19,21)(H2,20,22)/p+2/t9-/m0/s1
InChIKeyNXOFKTRYGXSRCY-VIFPVBQESA-P
MW328.42 g/mol
LogP1.06
Rot. Bonds4

About (2S)-5,6-diamino-8-(diethylamino)-2-ethyl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-4,7-diium-9-carbonitrile

(2S)-5,6-diamino-8-(diethylamino)-2-ethyl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-4,7-diium-9-carbonitrile (PubChem CID 2117481) has the molecular formula C17H24N6O+2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S)-5,6-diamino-8-(diethylamino)-2-ethyl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-4,7-diium-9-carbonitrile.

Molecular Properties

Compound Name(2S)-5,6-diamino-8-(diethylamino)-2-ethyl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-4,7-diium-9-carbonitrile
PubChem CID2117481
Molecular FormulaC17H24N6O+2
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(2S)-5,6-diamino-8-(diethylamino)-2-ethyl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-4,7-diium-9-carbonitrile
SMILESCC[C@H]1Cc2c([nH+]c(N)c3c(N)[nH+]c(N(CC)CC)c(C#N)c23)O1
InChIInChI=1S/C17H22N6O/c1-4-9-7-10-12-11(8-18)16(23(5-2)6-3)21-14(19)13(12)15(20)22-17(10)24-9/h9H,4-7H2,1-3H3,(H2,19,21)(H2,20,22)/p+2/t9-/m0/s1
InChIKeyNXOFKTRYGXSRCY-VIFPVBQESA-P
XLogP1.06
TPSA116.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-5,6-diamino-8-(diethylamino)-2-ethyl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-4,7-diium-9-carbonitrile with MolForge

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Related Compounds

2-amino-4-[(1S)-1-cyano-2-(4-methylphenyl)ethyl]-6-(diethylamino)pyridin-1-ium-3,5-dicarbonitrile
CID 7973439
12-ethyl-7-morpholin-4-ylspiro[13-oxa-2,4,6,15-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,14-pentaene-3,1'-cyclohexane]-8-carbonitrile
CID 4285117
5,6-diamino-3-[(2R)-butan-2-yl]-8-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile
CID 8007820
5-amino-2-(diethylamino)furan-3-carbonitrile
CID 69333985
methyl 3-amino-4-cyano-5-[ethyl(oxolan-2-ylmethyl)amino]thiophene-2-carboxylate
CID 103509892
5-amino-1-cycloheptyl-3-(diethylamino)pyrazole-4-carbonitrile
CID 102796097
4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 61435563
2-amino-4-(4-bromo-5-ethylthiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile
CID 4752778
5-ethyl-2-oxooxolane-3-carbonitrile
CID 13130972
(6R)-2-amino-5-methyl-6-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
CID 122485221
ethyl 2-[5-amino-4-cyano-3-(diethylamino)pyrazol-1-yl]acetate
CID 102796587
3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379711

Frequently Asked Questions

What is the IUPAC name of (2S)-5,6-diamino-8-(diethylamino)-2-ethyl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-4,7-diium-9-carbonitrile?
The IUPAC name of (2S)-5,6-diamino-8-(diethylamino)-2-ethyl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-4,7-diium-9-carbonitrile (CID 2117481) is (2S)-5,6-diamino-8-(diethylamino)-2-ethyl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-4,7-diium-9-carbonitrile.
What is the SMILES notation for (2S)-5,6-diamino-8-(diethylamino)-2-ethyl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-4,7-diium-9-carbonitrile?
The canonical SMILES for (2S)-5,6-diamino-8-(diethylamino)-2-ethyl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-4,7-diium-9-carbonitrile is CC[C@H]1Cc2c([nH+]c(N)c3c(N)[nH+]c(N(CC)CC)c(C#N)c23)O1.
What is the InChIKey of (2S)-5,6-diamino-8-(diethylamino)-2-ethyl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-4,7-diium-9-carbonitrile?
The InChIKey is NXOFKTRYGXSRCY-VIFPVBQESA-P. The full InChI is InChI=1S/C17H22N6O/c1-4-9-7-10-12-11(8-18)16(23(5-2)6-3)21-14(19)13(12)15(20)22-17(10)24-9/h9H,4-7H2,1-3H3,(H2,19,21)(H2,20,22)/p+2/t9-/m0/s1.
What are the key properties of (2S)-5,6-diamino-8-(diethylamino)-2-ethyl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-4,7-diium-9-carbonitrile?
(2S)-5,6-diamino-8-(diethylamino)-2-ethyl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-4,7-diium-9-carbonitrile has a molecular weight of 328.42 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5,6-diamino-8-(diethylamino)-2-ethyl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-4,7-diium-9-carbonitrile is sourced from PubChem (CID 2117481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).