1-(4-methyl-3-pyridinyl)-3-propyl-1,4-diazepane-2,5-dione

C14H19N3O2 — CID 64970685

IUPAC1-(4-methyl-3-pyridinyl)-3-propyl-1,4-diazepane-2,5-dione
SMILESCCCC1NC(=O)CCN(c2cnccc2C)C1=O
InChIInChI=1S/C14H19N3O2/c1-3-4-11-14(19)17(8-6-13(18)16-11)12-9-15-7-5-10(12)2/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,16,18)
InChIKeyVHMPJIHSNLRONP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.41
Rot. Bonds3

About 1-(4-methyl-3-pyridinyl)-3-propyl-1,4-diazepane-2,5-dione

1-(4-methyl-3-pyridinyl)-3-propyl-1,4-diazepane-2,5-dione (PubChem CID 64970685) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(4-methyl-3-pyridinyl)-3-propyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(4-methyl-3-pyridinyl)-3-propyl-1,4-diazepane-2,5-dione
PubChem CID64970685
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(4-methyl-3-pyridinyl)-3-propyl-1,4-diazepane-2,5-dione
SMILESCCCC1NC(=O)CCN(c2cnccc2C)C1=O
InChIInChI=1S/C14H19N3O2/c1-3-4-11-14(19)17(8-6-13(18)16-11)12-9-15-7-5-10(12)2/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,16,18)
InChIKeyVHMPJIHSNLRONP-UHFFFAOYSA-N
XLogP1.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-3-pyridinyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64970731
1-(2,5-difluoro-4-methylphenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 103587690
1-(2-bromo-5-chloro-4-methylphenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 104725412
3,3-diethyl-1-(4-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione
CID 64970779
1-(2-ethoxyphenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 64957042
3-ethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,4-diazepane-2,5-dione
CID 114957747
3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine-2,5-dione
CID 64970698
3-propyl-1-(2,3,5-trifluorophenyl)-1,4-diazepane-2,5-dione
CID 64969881
3-propyl-1-pyridin-3-ylpiperazine-2,5-dione
CID 64956276
1-(5-bromo-2,4-difluorophenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 102855276
1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane
CID 156858667
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-propyl-1,4-diazepane-2,5-dione
CID 64966186

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyridinyl)-3-propyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(4-methyl-3-pyridinyl)-3-propyl-1,4-diazepane-2,5-dione (CID 64970685) is 1-(4-methyl-3-pyridinyl)-3-propyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(4-methyl-3-pyridinyl)-3-propyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(4-methyl-3-pyridinyl)-3-propyl-1,4-diazepane-2,5-dione is CCCC1NC(=O)CCN(c2cnccc2C)C1=O.
What is the InChIKey of 1-(4-methyl-3-pyridinyl)-3-propyl-1,4-diazepane-2,5-dione?
The InChIKey is VHMPJIHSNLRONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-4-11-14(19)17(8-6-13(18)16-11)12-9-15-7-5-10(12)2/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,16,18).
What are the key properties of 1-(4-methyl-3-pyridinyl)-3-propyl-1,4-diazepane-2,5-dione?
1-(4-methyl-3-pyridinyl)-3-propyl-1,4-diazepane-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyridinyl)-3-propyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64970685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).