1-methyl-4-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one

C16H23N5O2 — CID 70725845

IUPAC1-methyl-4-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one
SMILESCc1cc(N2CCCN(C(=O)C3CN(C)C(=O)N3)CC2)ccn1
InChIInChI=1S/C16H23N5O2/c1-12-10-13(4-5-17-12)20-6-3-7-21(9-8-20)15(22)14-11-19(2)16(23)18-14/h4-5,10,14H,3,6-9,11H2,1-2H3,(H,18,23)
InChIKeyOCVBNYZBIRNBFA-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.45
Rot. Bonds2

About 1-methyl-4-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one

1-methyl-4-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one (PubChem CID 70725845) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-methyl-4-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one
PubChem CID70725845
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-methyl-4-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one
SMILESCc1cc(N2CCCN(C(=O)C3CN(C)C(=O)N3)CC2)ccn1
InChIInChI=1S/C16H23N5O2/c1-12-10-13(4-5-17-12)20-6-3-7-21(9-8-20)15(22)14-11-19(2)16(23)18-14/h4-5,10,14H,3,6-9,11H2,1-2H3,(H,18,23)
InChIKeyOCVBNYZBIRNBFA-UHFFFAOYSA-N
XLogP0.45
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one with MolForge

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Related Compounds

[(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 97189052
3,4-dihydro-2H-chromen-2-yl-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 70710470
5-methyl-2-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 154567222
N-(1-cyclohexylethyl)-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 122565554
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 97148569
[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
CID 138809548
N-[(2S)-1-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide
CID 91785147
3-[2-[3-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
CID 91793379
4-chloro-1-(2-methyl-4-pyridinyl)azepane
CID 131020856
2-(2,4-dimethoxyphenyl)-1-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 70746036
2-methoxy-1-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 70736871
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 119058491

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one?
The IUPAC name of 1-methyl-4-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one (CID 70725845) is 1-methyl-4-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-4-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-4-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one is Cc1cc(N2CCCN(C(=O)C3CN(C)C(=O)N3)CC2)ccn1.
What is the InChIKey of 1-methyl-4-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one?
The InChIKey is OCVBNYZBIRNBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-12-10-13(4-5-17-12)20-6-3-7-21(9-8-20)15(22)14-11-19(2)16(23)18-14/h4-5,10,14H,3,6-9,11H2,1-2H3,(H,18,23).
What are the key properties of 1-methyl-4-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one?
1-methyl-4-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one has a molecular weight of 317.39 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one is sourced from PubChem (CID 70725845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).