N-[(carbonazidoylamino)methyl]acetamide

C4H7N5O2 — CID 58837146

IUPACN-[(carbonazidoylamino)methyl]acetamide
SMILESCC(=O)NCNC(=O)N=[N+]=[N-]
InChIInChI=1S/C4H7N5O2/c1-3(10)6-2-7-4(11)8-9-5/h2H2,1H3,(H,6,10)(H,7,11)
InChIKeyMRGYHVCOJVMIJF-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.10
Rot. Bonds2

About N-[(carbonazidoylamino)methyl]acetamide

N-[(carbonazidoylamino)methyl]acetamide (PubChem CID 58837146) has the molecular formula C4H7N5O2 and a molecular weight of 157.13 g/mol. Its IUPAC name is N-[(carbonazidoylamino)methyl]acetamide.

Molecular Properties

Compound NameN-[(carbonazidoylamino)methyl]acetamide
PubChem CID58837146
Molecular FormulaC4H7N5O2
Molecular Weight157.13 g/mol
Exact Mass157.06
IUPAC NameN-[(carbonazidoylamino)methyl]acetamide
SMILESCC(=O)NCNC(=O)N=[N+]=[N-]
InChIInChI=1S/C4H7N5O2/c1-3(10)6-2-7-4(11)8-9-5/h2H2,1H3,(H,6,10)(H,7,11)
InChIKeyMRGYHVCOJVMIJF-UHFFFAOYSA-N
XLogP0.10
TPSA106.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(carbonazidoylamino)methyl]acetamide?
The IUPAC name of N-[(carbonazidoylamino)methyl]acetamide (CID 58837146) is N-[(carbonazidoylamino)methyl]acetamide.
What is the SMILES notation for N-[(carbonazidoylamino)methyl]acetamide?
The canonical SMILES for N-[(carbonazidoylamino)methyl]acetamide is CC(=O)NCNC(=O)N=[N+]=[N-].
What is the InChIKey of N-[(carbonazidoylamino)methyl]acetamide?
The InChIKey is MRGYHVCOJVMIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O2/c1-3(10)6-2-7-4(11)8-9-5/h2H2,1H3,(H,6,10)(H,7,11).
What are the key properties of N-[(carbonazidoylamino)methyl]acetamide?
N-[(carbonazidoylamino)methyl]acetamide has a molecular weight of 157.13 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(carbonazidoylamino)methyl]acetamide is sourced from PubChem (CID 58837146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).