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

C26H30N6O2 — CID 134443270

IUPAC2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCN1CCCN(c2ccc3cc(C(=O)NC4CCOCC4)c4nc5ccccc5n4c3n2)CC1
InChIInChI=1S/C26H30N6O2/c1-30-11-4-12-31(14-13-30)23-8-7-18-17-20(26(33)27-19-9-15-34-16-10-19)25-28-21-5-2-3-6-22(21)32(25)24(18)29-23/h2-3,5-8,17,19H,4,9-16H2,1H3,(H,27,33)
InChIKeyNVRSGDLWKUVCKV-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.09
Rot. Bonds3

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

2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 134443270) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID134443270
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCN1CCCN(c2ccc3cc(C(=O)NC4CCOCC4)c4nc5ccccc5n4c3n2)CC1
InChIInChI=1S/C26H30N6O2/c1-30-11-4-12-31(14-13-30)23-8-7-18-17-20(26(33)27-19-9-15-34-16-10-19)25-28-21-5-2-3-6-22(21)32(25)24(18)29-23/h2-3,5-8,17,19H,4,9-16H2,1H3,(H,27,33)
InChIKeyNVRSGDLWKUVCKV-UHFFFAOYSA-N
XLogP3.09
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (CID 134443270) is 2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is CN1CCCN(c2ccc3cc(C(=O)NC4CCOCC4)c4nc5ccccc5n4c3n2)CC1.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is NVRSGDLWKUVCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-30-11-4-12-31(14-13-30)23-8-7-18-17-20(26(33)27-19-9-15-34-16-10-19)25-28-21-5-2-3-6-22(21)32(25)24(18)29-23/h2-3,5-8,17,19H,4,9-16H2,1H3,(H,27,33).
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 134443270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).