N-methoxy-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

C22H24N6O2 — CID 118509929

IUPACN-methoxy-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCONC(=O)c1cc2ccc(N3CCCN(C)CC3)nc2n2c1nc1ccccc12
InChIInChI=1S/C22H24N6O2/c1-26-10-5-11-27(13-12-26)19-9-8-15-14-16(22(29)25-30-2)21-23-17-6-3-4-7-18(17)28(21)20(15)24-19/h3-4,6-9,14H,5,10-13H2,1-2H3,(H,25,29)
InChIKeyJGNLQNACDJEBBB-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.47
Rot. Bonds3

About N-methoxy-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

N-methoxy-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 118509929) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-methoxy-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-methoxy-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID118509929
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-methoxy-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCONC(=O)c1cc2ccc(N3CCCN(C)CC3)nc2n2c1nc1ccccc12
InChIInChI=1S/C22H24N6O2/c1-26-10-5-11-27(13-12-26)19-9-8-15-14-16(22(29)25-30-2)21-23-17-6-3-4-7-18(17)28(21)20(15)24-19/h3-4,6-9,14H,5,10-13H2,1-2H3,(H,25,29)
InChIKeyJGNLQNACDJEBBB-UHFFFAOYSA-N
XLogP2.47
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 134443270
[2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 140737040
N-methyl-4-(4-methylpiperazin-1-yl)-1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide
CID 122523487
5-(cyclopropylamino)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 122523542
N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 118509888
8-amino-N-methyl-5-(4-methyl-1,4-diazepan-1-yl)-1,3,4,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide
CID 122523591
2-(4-methylazepan-1-yl)-N-[(1-methylcyclobutyl)methyl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 158433253
[5-(dimethylamino)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]-(methylamino)methanol
CID 140924232
2,6-dichloropyridine-3-carbaldehyde;ethyl 2-(3H-indol-2-yl)acetate;ethyl 2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate;1-methyl-1,4-diazepane
CID 159281245
N-cyclopropyl-8-(methylamino)-5-(4-methyl-1,4-diazepan-1-yl)-1,3,4,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide
CID 122523577
4-methyl-9-(4-methyl-1,4-diazepan-1-yl)-1,3,8,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaene
CID 139357378
1-(benzimidazolo[1,2-a][1,6]naphthyridin-6-yl)ethanone;benzimidazolo[1,2-a][1,6]naphthyridin-6-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 162076066

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of N-methoxy-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (CID 118509929) is N-methoxy-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for N-methoxy-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for N-methoxy-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is CONC(=O)c1cc2ccc(N3CCCN(C)CC3)nc2n2c1nc1ccccc12.
What is the InChIKey of N-methoxy-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is JGNLQNACDJEBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-26-10-5-11-27(13-12-26)19-9-8-15-14-16(22(29)25-30-2)21-23-17-6-3-4-7-18(17)28(21)20(15)24-19/h3-4,6-9,14H,5,10-13H2,1-2H3,(H,25,29).
What are the key properties of N-methoxy-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
N-methoxy-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 118509929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).