5-[4-(2,5-dimethylfuran-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one

C18H21N3O4 — CID 134710076

IUPAC5-[4-(2,5-dimethylfuran-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)c(C)o1
InChIInChI=1S/C18H21N3O4/c1-12-10-15(13(2)25-12)18(24)21-7-3-6-20(8-9-21)17(23)14-4-5-16(22)19-11-14/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,22)
InChIKeyKCRXVINEKRCHKI-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.57
Rot. Bonds2

About 5-[4-(2,5-dimethylfuran-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one

5-[4-(2,5-dimethylfuran-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one (PubChem CID 134710076) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-[4-(2,5-dimethylfuran-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(2,5-dimethylfuran-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
PubChem CID134710076
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name5-[4-(2,5-dimethylfuran-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)c(C)o1
InChIInChI=1S/C18H21N3O4/c1-12-10-15(13(2)25-12)18(24)21-7-3-6-20(8-9-21)17(23)14-4-5-16(22)19-11-14/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,22)
InChIKeyKCRXVINEKRCHKI-UHFFFAOYSA-N
XLogP1.57
TPSA86.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(2,5-dimethylfuran-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 136514431
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308395
1-[4-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 25332880
4-[[4-(2,5-dimethylfuran-3-carbonyl)-1,4-diazepan-1-yl]methyl]-2-methyl-1H-pyrimidin-6-one
CID 137345096
(3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone
CID 32824162
5-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24707425
(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 24981685
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320
N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide
CID 60701290
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026633
2-[4-(2,5-dimethylfuran-3-carbonyl)piperazine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one
CID 138994939

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,5-dimethylfuran-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(2,5-dimethylfuran-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one (CID 134710076) is 5-[4-(2,5-dimethylfuran-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(2,5-dimethylfuran-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(2,5-dimethylfuran-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one is Cc1cc(C(=O)N2CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)c(C)o1.
What is the InChIKey of 5-[4-(2,5-dimethylfuran-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is KCRXVINEKRCHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12-10-15(13(2)25-12)18(24)21-7-3-6-20(8-9-21)17(23)14-4-5-16(22)19-11-14/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,22).
What are the key properties of 5-[4-(2,5-dimethylfuran-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one?
5-[4-(2,5-dimethylfuran-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 343.38 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,5-dimethylfuran-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 134710076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).