2-(dimethylamino)-8-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyrido[4,3-b][1,6]naphthyridine-1,9-dione

C21H26N4O2 — CID 124907943

IUPAC2-(dimethylamino)-8-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyrido[4,3-b][1,6]naphthyridine-1,9-dione
SMILESC[C@H]1[C@H](C)CCC[C@H]1n1ccc2nc3ccn(N(C)C)c(=O)c3cc2c1=O
InChIInChI=1S/C21H26N4O2/c1-13-6-5-7-19(14(13)2)24-10-8-17-15(20(24)26)12-16-18(22-17)9-11-25(21(16)27)23(3)4/h8-14,19H,5-7H2,1-4H3/t13-,14+,19-/m1/s1
InChIKeyHXJZZMAXHPAFJU-BIENJYKASA-N
MW366.47 g/mol
LogP2.91
Rot. Bonds2

About 2-(dimethylamino)-8-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyrido[4,3-b][1,6]naphthyridine-1,9-dione

2-(dimethylamino)-8-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyrido[4,3-b][1,6]naphthyridine-1,9-dione (PubChem CID 124907943) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(dimethylamino)-8-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyrido[4,3-b][1,6]naphthyridine-1,9-dione.

Molecular Properties

Compound Name2-(dimethylamino)-8-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyrido[4,3-b][1,6]naphthyridine-1,9-dione
PubChem CID124907943
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-(dimethylamino)-8-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyrido[4,3-b][1,6]naphthyridine-1,9-dione
SMILESC[C@H]1[C@H](C)CCC[C@H]1n1ccc2nc3ccn(N(C)C)c(=O)c3cc2c1=O
InChIInChI=1S/C21H26N4O2/c1-13-6-5-7-19(14(13)2)24-10-8-17-15(20(24)26)12-16-18(22-17)9-11-25(21(16)27)23(3)4/h8-14,19H,5-7H2,1-4H3/t13-,14+,19-/m1/s1
InChIKeyHXJZZMAXHPAFJU-BIENJYKASA-N
XLogP2.91
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

8-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(1H-pyrazol-5-yl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 124907828
8-cyclopentyl-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865142
8-cyclopropyl-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865167
3-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[(1R)-2-oxocyclohexyl]sulfanylquinazolin-4-one
CID 11911208
3-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[(1R)-2-oxocyclohexyl]sulfanylquinazolin-4-one
CID 11911209
(2S)-2-[3-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 11911181
5-(4-chlorophenyl)-11-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-ethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 124908569
11-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-ethyl-5-(4-fluorophenyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 124908601
1-(2,3-dimethylcyclohexyl)benzimidazol-5-amine
CID 62508321
13-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 124818032
2-cycloheptyl-8-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 66507211
2-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxoquinazolin-2-yl]sulfanylacetonitrile
CID 11911194

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The IUPAC name of 2-(dimethylamino)-8-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyrido[4,3-b][1,6]naphthyridine-1,9-dione (CID 124907943) is 2-(dimethylamino)-8-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyrido[4,3-b][1,6]naphthyridine-1,9-dione.
What is the SMILES notation for 2-(dimethylamino)-8-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The canonical SMILES for 2-(dimethylamino)-8-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyrido[4,3-b][1,6]naphthyridine-1,9-dione is C[C@H]1[C@H](C)CCC[C@H]1n1ccc2nc3ccn(N(C)C)c(=O)c3cc2c1=O.
What is the InChIKey of 2-(dimethylamino)-8-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The InChIKey is HXJZZMAXHPAFJU-BIENJYKASA-N. The full InChI is InChI=1S/C21H26N4O2/c1-13-6-5-7-19(14(13)2)24-10-8-17-15(20(24)26)12-16-18(22-17)9-11-25(21(16)27)23(3)4/h8-14,19H,5-7H2,1-4H3/t13-,14+,19-/m1/s1.
What are the key properties of 2-(dimethylamino)-8-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyrido[4,3-b][1,6]naphthyridine-1,9-dione?
2-(dimethylamino)-8-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyrido[4,3-b][1,6]naphthyridine-1,9-dione has a molecular weight of 366.47 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyrido[4,3-b][1,6]naphthyridine-1,9-dione is sourced from PubChem (CID 124907943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).