1-butan-2-yl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-5-one

C15H23N3O — CID 134406487

IUPAC1-butan-2-yl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-5-one
SMILESCCC(C)N1CCC(=O)N(c2ccc(C)nc2)CC1
InChIInChI=1S/C15H23N3O/c1-4-13(3)17-8-7-15(19)18(10-9-17)14-6-5-12(2)16-11-14/h5-6,11,13H,4,7-10H2,1-3H3
InChIKeyZOMNRHFTTWTMOB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.23
Rot. Bonds3

About 1-butan-2-yl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-5-one

1-butan-2-yl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-5-one (PubChem CID 134406487) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-butan-2-yl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-butan-2-yl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-5-one
PubChem CID134406487
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-butan-2-yl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-5-one
SMILESCCC(C)N1CCC(=O)N(c2ccc(C)nc2)CC1
InChIInChI=1S/C15H23N3O/c1-4-13(3)17-8-7-15(19)18(10-9-17)14-6-5-12(2)16-11-14/h5-6,11,13H,4,7-10H2,1-3H3
InChIKeyZOMNRHFTTWTMOB-UHFFFAOYSA-N
XLogP2.23
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(6-methyl-3-pyridinyl)imidazolidin-2-one
CID 170445532
4-(6-butan-2-yl-3-pyridinyl)-1-(2-methylsulfanylethyl)-1,4-diazepan-5-one
CID 139539044
4-(6-tert-butyl-3-pyridinyl)-1-(2-methylpropyl)-1,4-diazepan-5-one
CID 134595619
1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 115940446
4-(bromomethyl)-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168504461
1-butan-2-yl-4-[5-(chloromethyl)-2-methyl-4-pyridinyl]piperazine
CID 81234417
4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.2.2]nonan-3-one
CID 134405896
1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine
CID 786336
3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine
CID 104540306
ethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol
CID 156652004
6-(4-butan-2-ylpiperazin-1-yl)-4-methylpyridin-3-amine
CID 79176414
4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168684777

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-5-one?
The IUPAC name of 1-butan-2-yl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-5-one (CID 134406487) is 1-butan-2-yl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-butan-2-yl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-butan-2-yl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-5-one is CCC(C)N1CCC(=O)N(c2ccc(C)nc2)CC1.
What is the InChIKey of 1-butan-2-yl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-5-one?
The InChIKey is ZOMNRHFTTWTMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-13(3)17-8-7-15(19)18(10-9-17)14-6-5-12(2)16-11-14/h5-6,11,13H,4,7-10H2,1-3H3.
What are the key properties of 1-butan-2-yl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-5-one?
1-butan-2-yl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-5-one has a molecular weight of 261.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(6-methyl-3-pyridinyl)-1,4-diazepan-5-one is sourced from PubChem (CID 134406487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).