1-[[4-[4-(1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]methyl]pyridin-2-one

C20H22N6O — CID 167816142

IUPAC1-[[4-[4-(1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1ccc(-c2ncnc(N3CCCNCC3)n2)cc1
InChIInChI=1S/C20H22N6O/c27-18-4-1-2-11-26(18)14-16-5-7-17(8-6-16)19-22-15-23-20(24-19)25-12-3-9-21-10-13-25/h1-2,4-8,11,15,21H,3,9-10,12-14H2
InChIKeyQKWRHISPLLXPCY-UHFFFAOYSA-N
MW362.44 g/mol
LogP1.55
Rot. Bonds4

About 1-[[4-[4-(1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]methyl]pyridin-2-one

1-[[4-[4-(1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]methyl]pyridin-2-one (PubChem CID 167816142) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-[[4-[4-(1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[4-[4-(1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]methyl]pyridin-2-one
PubChem CID167816142
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name1-[[4-[4-(1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1ccc(-c2ncnc(N3CCCNCC3)n2)cc1
InChIInChI=1S/C20H22N6O/c27-18-4-1-2-11-26(18)14-16-5-7-17(8-6-16)19-22-15-23-20(24-19)25-12-3-9-21-10-13-25/h1-2,4-8,11,15,21H,3,9-10,12-14H2
InChIKeyQKWRHISPLLXPCY-UHFFFAOYSA-N
XLogP1.55
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[4-[4-(1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]methyl]pyridin-2-one with MolForge

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Related Compounds

1-[4-(1-phenylpyrazol-4-yl)-1,3,5-triazin-2-yl]-1,4-diazepane
CID 167843757
2-piperazin-1-yl-4-thiophen-3-yl-1,3,5-triazine
CID 67388017
2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine
CID 167940796
2-chloro-4-piperazin-1-yl-1,3,5-triazine
CID 54357139
1-(pyridin-4-ylmethyl)pyridin-2-one
CID 112684898
N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60577602
1-[4-(4-methoxyphenyl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]-1,4-diazepane
CID 118250333
2-(1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 82276271
2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 121204943
2-[2-(1,4-diazepan-1-yl)pyrimidin-4-yl]phenol
CID 136967152
2-(1,4-diazepan-1-yl)-6-phenylthieno[2,3-d]pyrimidine
CID 66803857
2-[[2-(1,4-diazepan-1-yl)pyrimidin-5-yl]methyl]phenol
CID 117224249

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]methyl]pyridin-2-one?
The IUPAC name of 1-[[4-[4-(1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]methyl]pyridin-2-one (CID 167816142) is 1-[[4-[4-(1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[4-[4-(1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[4-[4-(1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]methyl]pyridin-2-one is O=c1ccccn1Cc1ccc(-c2ncnc(N3CCCNCC3)n2)cc1.
What is the InChIKey of 1-[[4-[4-(1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]methyl]pyridin-2-one?
The InChIKey is QKWRHISPLLXPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c27-18-4-1-2-11-26(18)14-16-5-7-17(8-6-16)19-22-15-23-20(24-19)25-12-3-9-21-10-13-25/h1-2,4-8,11,15,21H,3,9-10,12-14H2.
What are the key properties of 1-[[4-[4-(1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]methyl]pyridin-2-one?
1-[[4-[4-(1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]methyl]pyridin-2-one has a molecular weight of 362.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 167816142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).