3-(2-methylpropyl)-1-(1-pyridin-2-ylethyl)-1,4-diazepane-2,5-dione

C16H23N3O2 — CID 64963218

IUPAC3-(2-methylpropyl)-1-(1-pyridin-2-ylethyl)-1,4-diazepane-2,5-dione
SMILESCC(C)CC1NC(=O)CCN(C(C)c2ccccn2)C1=O
InChIInChI=1S/C16H23N3O2/c1-11(2)10-14-16(21)19(9-7-15(20)18-14)12(3)13-6-4-5-8-17-13/h4-6,8,11-12,14H,7,9-10H2,1-3H3,(H,18,20)
InChIKeyQCZQQPOKFWBTLO-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.91
Rot. Bonds4

About 3-(2-methylpropyl)-1-(1-pyridin-2-ylethyl)-1,4-diazepane-2,5-dione

3-(2-methylpropyl)-1-(1-pyridin-2-ylethyl)-1,4-diazepane-2,5-dione (PubChem CID 64963218) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-(1-pyridin-2-ylethyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-(1-pyridin-2-ylethyl)-1,4-diazepane-2,5-dione
PubChem CID64963218
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(2-methylpropyl)-1-(1-pyridin-2-ylethyl)-1,4-diazepane-2,5-dione
SMILESCC(C)CC1NC(=O)CCN(C(C)c2ccccn2)C1=O
InChIInChI=1S/C16H23N3O2/c1-11(2)10-14-16(21)19(9-7-15(20)18-14)12(3)13-6-4-5-8-17-13/h4-6,8,11-12,14H,7,9-10H2,1-3H3,(H,18,20)
InChIKeyQCZQQPOKFWBTLO-UHFFFAOYSA-N
XLogP1.91
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(1-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64963137
2-(1-pyridin-2-ylethyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944693
3-(2-methylpropyl)-1-(1-methylsulfanylpropan-2-yl)-1,4-diazepane-2,5-dione
CID 113473111
(3R)-1-benzyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 102440944
3-(2-methylpropyl)-1-(1-methylsulfonylpropan-2-yl)-1,4-diazepane-2,5-dione
CID 64972970
1-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64883946
3-(2-methylpropyl)-1-(pyridazin-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 106898021
1-(1-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64956136
1,6-bis(1-pyridin-2-ylethyl)-1,6-diazaspiro[4.4]nonane-2,7-dione
CID 19900982
1-(2-methylbutan-2-yl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64958124
1-(4-chlorophenyl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64961189
3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione
CID 64968881

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-(1-pyridin-2-ylethyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-(2-methylpropyl)-1-(1-pyridin-2-ylethyl)-1,4-diazepane-2,5-dione (CID 64963218) is 3-(2-methylpropyl)-1-(1-pyridin-2-ylethyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-(2-methylpropyl)-1-(1-pyridin-2-ylethyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-(2-methylpropyl)-1-(1-pyridin-2-ylethyl)-1,4-diazepane-2,5-dione is CC(C)CC1NC(=O)CCN(C(C)c2ccccn2)C1=O.
What is the InChIKey of 3-(2-methylpropyl)-1-(1-pyridin-2-ylethyl)-1,4-diazepane-2,5-dione?
The InChIKey is QCZQQPOKFWBTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)10-14-16(21)19(9-7-15(20)18-14)12(3)13-6-4-5-8-17-13/h4-6,8,11-12,14H,7,9-10H2,1-3H3,(H,18,20).
What are the key properties of 3-(2-methylpropyl)-1-(1-pyridin-2-ylethyl)-1,4-diazepane-2,5-dione?
3-(2-methylpropyl)-1-(1-pyridin-2-ylethyl)-1,4-diazepane-2,5-dione has a molecular weight of 289.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-(1-pyridin-2-ylethyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64963218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).