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

C22H24N6O — CID 118509888

IUPACN-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCNC(=O)c1cc2c(N3CCCN(C)CC3)ccnc2n2c1nc1ccccc12
InChIInChI=1S/C22H24N6O/c1-23-22(29)16-14-15-18(27-11-5-10-26(2)12-13-27)8-9-24-20(15)28-19-7-4-3-6-17(19)25-21(16)28/h3-4,6-9,14H,5,10-13H2,1-2H3,(H,23,29)
InChIKeyIBWZPNLKNFQXOT-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.54
Rot. Bonds2

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

N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 118509888) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID118509888
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCNC(=O)c1cc2c(N3CCCN(C)CC3)ccnc2n2c1nc1ccccc12
InChIInChI=1S/C22H24N6O/c1-23-22(29)16-14-15-18(27-11-5-10-26(2)12-13-27)8-9-24-20(15)28-19-7-4-3-6-17(19)25-21(16)28/h3-4,6-9,14H,5,10-13H2,1-2H3,(H,23,29)
InChIKeyIBWZPNLKNFQXOT-UHFFFAOYSA-N
XLogP2.54
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (CID 118509888) is N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is CNC(=O)c1cc2c(N3CCCN(C)CC3)ccnc2n2c1nc1ccccc12.
What is the InChIKey of N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is IBWZPNLKNFQXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-23-22(29)16-14-15-18(27-11-5-10-26(2)12-13-27)8-9-24-20(15)28-19-7-4-3-6-17(19)25-21(16)28/h3-4,6-9,14H,5,10-13H2,1-2H3,(H,23,29).
What are the key properties of N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 118509888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).