N-methyl-2,7-dioxo-1,3-diazepane-5-carboxamide

C7H11N3O3 — CID 170579335

IUPACN-methyl-2,7-dioxo-1,3-diazepane-5-carboxamide
SMILESCNC(=O)C1CNC(=O)NC(=O)C1
InChIInChI=1S/C7H11N3O3/c1-8-6(12)4-2-5(11)10-7(13)9-3-4/h4H,2-3H2,1H3,(H,8,12)(H2,9,10,11,13)
InChIKeyLTCXOPSIGLHAHI-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.42
Rot. Bonds1

About N-methyl-2,7-dioxo-1,3-diazepane-5-carboxamide

N-methyl-2,7-dioxo-1,3-diazepane-5-carboxamide (PubChem CID 170579335) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is N-methyl-2,7-dioxo-1,3-diazepane-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2,7-dioxo-1,3-diazepane-5-carboxamide
PubChem CID170579335
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC NameN-methyl-2,7-dioxo-1,3-diazepane-5-carboxamide
SMILESCNC(=O)C1CNC(=O)NC(=O)C1
InChIInChI=1S/C7H11N3O3/c1-8-6(12)4-2-5(11)10-7(13)9-3-4/h4H,2-3H2,1H3,(H,8,12)(H2,9,10,11,13)
InChIKeyLTCXOPSIGLHAHI-UHFFFAOYSA-N
XLogP-1.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
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2-amino-N-methyl-1,4,5,6-tetrahydropyrimidine-5-carboxamide
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N-methyl-1-(5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxamide
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CID 78981588
N-(2-methyloxolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 82841949
N-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 78998864
N-(2-methylsulfinylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 115764461
N-methyl-5-oxothiolane-3-carboxamide
CID 15029728
N-but-3-en-2-yl-5-oxopyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,7-dioxo-1,3-diazepane-5-carboxamide?
The IUPAC name of N-methyl-2,7-dioxo-1,3-diazepane-5-carboxamide (CID 170579335) is N-methyl-2,7-dioxo-1,3-diazepane-5-carboxamide.
What is the SMILES notation for N-methyl-2,7-dioxo-1,3-diazepane-5-carboxamide?
The canonical SMILES for N-methyl-2,7-dioxo-1,3-diazepane-5-carboxamide is CNC(=O)C1CNC(=O)NC(=O)C1.
What is the InChIKey of N-methyl-2,7-dioxo-1,3-diazepane-5-carboxamide?
The InChIKey is LTCXOPSIGLHAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-8-6(12)4-2-5(11)10-7(13)9-3-4/h4H,2-3H2,1H3,(H,8,12)(H2,9,10,11,13).
What are the key properties of N-methyl-2,7-dioxo-1,3-diazepane-5-carboxamide?
N-methyl-2,7-dioxo-1,3-diazepane-5-carboxamide has a molecular weight of 185.18 g/mol, XLogP of -1.42, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,7-dioxo-1,3-diazepane-5-carboxamide is sourced from PubChem (CID 170579335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).