2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide

C21H24N6O — CID 138589967

IUPAC2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide
SMILESCN1CCCN(CC(=O)Nc2cc3cc(-c4cccnc4)cnc3cn2)CC1
InChIInChI=1S/C21H24N6O/c1-26-6-3-7-27(9-8-26)15-21(28)25-20-11-17-10-18(13-23-19(17)14-24-20)16-4-2-5-22-12-16/h2,4-5,10-14H,3,6-9,15H2,1H3,(H,24,25,28)
InChIKeyLXEPURWGPMJAHP-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.27
Rot. Bonds4

About 2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide

2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide (PubChem CID 138589967) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide
PubChem CID138589967
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide
SMILESCN1CCCN(CC(=O)Nc2cc3cc(-c4cccnc4)cnc3cn2)CC1
InChIInChI=1S/C21H24N6O/c1-26-6-3-7-27(9-8-26)15-21(28)25-20-11-17-10-18(13-23-19(17)14-24-20)16-4-2-5-22-12-16/h2,4-5,10-14H,3,6-9,15H2,1H3,(H,24,25,28)
InChIKeyLXEPURWGPMJAHP-UHFFFAOYSA-N
XLogP2.27
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide with MolForge

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Related Compounds

1-(4-methylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)propan-2-one
CID 149083889
1-(4-methyl-1,4-diazepan-1-yl)-3-(6-pyridin-3-ylcinnolin-3-yl)propan-2-one
CID 147268962
2-morpholin-4-yl-N-(3-pyridazin-3-yl-1,7-naphthyridin-6-yl)acetamide
CID 138588047
2-(4-methyl-1,4-diazepan-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
CID 138587782
2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138589540
N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 95134605
2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 50969531
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
CID 138591471
2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]acetamide
CID 138589815
N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide
CID 138590612
N-[3-[6-(dimethylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138590492
N-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,7-naphthyridin-6-yl]cyclopropanecarboxamide
CID 138586870

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide (CID 138589967) is 2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide is CN1CCCN(CC(=O)Nc2cc3cc(-c4cccnc4)cnc3cn2)CC1.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide?
The InChIKey is LXEPURWGPMJAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-26-6-3-7-27(9-8-26)15-21(28)25-20-11-17-10-18(13-23-19(17)14-24-20)16-4-2-5-22-12-16/h2,4-5,10-14H,3,6-9,15H2,1H3,(H,24,25,28).
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide?
2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide is sourced from PubChem (CID 138589967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).