N-(2H-1,4-diazepin-5-yl)-2-(dimethylamino)acetamide

C9H14N4O — CID 146342607

IUPACN-(2H-1,4-diazepin-5-yl)-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NC1=CC=NCC=N1
InChIInChI=1S/C9H14N4O/c1-13(2)7-9(14)12-8-3-4-10-5-6-11-8/h3-4,6H,5,7H2,1-2H3,(H,12,14)
InChIKeyCBZZHMNIFINECL-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.34
Rot. Bonds3

About N-(2H-1,4-diazepin-5-yl)-2-(dimethylamino)acetamide

N-(2H-1,4-diazepin-5-yl)-2-(dimethylamino)acetamide (PubChem CID 146342607) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-(2H-1,4-diazepin-5-yl)-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-(2H-1,4-diazepin-5-yl)-2-(dimethylamino)acetamide
PubChem CID146342607
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-(2H-1,4-diazepin-5-yl)-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NC1=CC=NCC=N1
InChIInChI=1S/C9H14N4O/c1-13(2)7-9(14)12-8-3-4-10-5-6-11-8/h3-4,6H,5,7H2,1-2H3,(H,12,14)
InChIKeyCBZZHMNIFINECL-UHFFFAOYSA-N
XLogP-0.34
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2H-1,4-diazepin-5-yl)-2-(dimethylamino)acetamide?
The IUPAC name of N-(2H-1,4-diazepin-5-yl)-2-(dimethylamino)acetamide (CID 146342607) is N-(2H-1,4-diazepin-5-yl)-2-(dimethylamino)acetamide.
What is the SMILES notation for N-(2H-1,4-diazepin-5-yl)-2-(dimethylamino)acetamide?
The canonical SMILES for N-(2H-1,4-diazepin-5-yl)-2-(dimethylamino)acetamide is CN(C)CC(=O)NC1=CC=NCC=N1.
What is the InChIKey of N-(2H-1,4-diazepin-5-yl)-2-(dimethylamino)acetamide?
The InChIKey is CBZZHMNIFINECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-13(2)7-9(14)12-8-3-4-10-5-6-11-8/h3-4,6H,5,7H2,1-2H3,(H,12,14).
What are the key properties of N-(2H-1,4-diazepin-5-yl)-2-(dimethylamino)acetamide?
N-(2H-1,4-diazepin-5-yl)-2-(dimethylamino)acetamide has a molecular weight of 194.24 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-1,4-diazepin-5-yl)-2-(dimethylamino)acetamide is sourced from PubChem (CID 146342607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).