bis(azepine-1-carboxamide);hydrate

C14H18N4O3 — CID 70193934

IUPACbis(azepine-1-carboxamide);hydrate
SMILESNC(=O)N1C=CC=CC=C1.NC(=O)N1C=CC=CC=C1.O
InChIInChI=1S/2C7H8N2O.H2O/c2*8-7(10)9-5-3-1-2-4-6-9;/h2*1-6H,(H2,8,10);1H2
InChIKeyVFLFRSYFZSOFAB-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.10
Rot. Bonds

About bis(azepine-1-carboxamide);hydrate

bis(azepine-1-carboxamide);hydrate (PubChem CID 70193934) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is bis(azepine-1-carboxamide);hydrate.

Molecular Properties

Compound Namebis(azepine-1-carboxamide);hydrate
PubChem CID70193934
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Namebis(azepine-1-carboxamide);hydrate
SMILESNC(=O)N1C=CC=CC=C1.NC(=O)N1C=CC=CC=C1.O
InChIInChI=1S/2C7H8N2O.H2O/c2*8-7(10)9-5-3-1-2-4-6-9;/h2*1-6H,(H2,8,10);1H2
InChIKeyVFLFRSYFZSOFAB-UHFFFAOYSA-N
XLogP1.10
TPSA124.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Azepine-1-carboxamide
CID 21247429

Frequently Asked Questions

What is the IUPAC name of bis(azepine-1-carboxamide);hydrate?
The IUPAC name of bis(azepine-1-carboxamide);hydrate (CID 70193934) is bis(azepine-1-carboxamide);hydrate.
What is the SMILES notation for bis(azepine-1-carboxamide);hydrate?
The canonical SMILES for bis(azepine-1-carboxamide);hydrate is NC(=O)N1C=CC=CC=C1.NC(=O)N1C=CC=CC=C1.O.
What is the InChIKey of bis(azepine-1-carboxamide);hydrate?
The InChIKey is VFLFRSYFZSOFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8N2O.H2O/c2*8-7(10)9-5-3-1-2-4-6-9;/h2*1-6H,(H2,8,10);1H2.
What are the key properties of bis(azepine-1-carboxamide);hydrate?
bis(azepine-1-carboxamide);hydrate has a molecular weight of 290.32 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(azepine-1-carboxamide);hydrate is sourced from PubChem (CID 70193934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).