N'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide

C13H14N4O3 — CID 108501621

IUPACN'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCCCNC=O
InChIInChI=1S/C13H14N4O3/c14-8-10-4-1-2-5-11(10)17-13(20)12(19)16-7-3-6-15-9-18/h1-2,4-5,9H,3,6-7H2,(H,15,18)(H,16,19)(H,17,20)
InChIKeyMLNNDTJGUCWVAD-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.25
Rot. Bonds6

About N'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide

N'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide (PubChem CID 108501621) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide
PubChem CID108501621
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCCCNC=O
InChIInChI=1S/C13H14N4O3/c14-8-10-4-1-2-5-11(10)17-13(20)12(19)16-7-3-6-15-9-18/h1-2,4-5,9H,3,6-7H2,(H,15,18)(H,16,19)(H,17,20)
InChIKeyMLNNDTJGUCWVAD-UHFFFAOYSA-N
XLogP-0.25
TPSA111.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2-cyanophenyl)-N-pentyloxamide
CID 7541464
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742
3-[[2-(2-cyanoanilino)-2-oxoacetyl]amino]propyl-dimethylazanium
CID 7292746
N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108501500
N-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide
CID 119103412
N-(3-formamidopropyl)-N'-pyridin-2-yloxamide
CID 108525918
(Z)-2-cyano-3-(3-formamidopropylamino)-N-(2-nitrophenyl)prop-2-enamide
CID 108816647
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-cyanophenyl)oxamide
CID 42389800
N'-(2,5-difluorophenyl)-N-(3-formamidopropyl)oxamide
CID 108528944
N-(3-formamidopropyl)-N'-(4-nitrophenyl)oxamide
CID 108513182
N'-(2-cyanophenyl)-N-pentylpropanediamide
CID 108951989
(Z)-2-cyano-N-(2-cyanophenyl)-3-(3-phenylpropylamino)prop-2-enamide
CID 108826845

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide (CID 108501621) is N'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide is N#Cc1ccccc1NC(=O)C(=O)NCCCNC=O.
What is the InChIKey of N'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide?
The InChIKey is MLNNDTJGUCWVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c14-8-10-4-1-2-5-11(10)17-13(20)12(19)16-7-3-6-15-9-18/h1-2,4-5,9H,3,6-7H2,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of N'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide?
N'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide has a molecular weight of 274.28 g/mol, XLogP of -0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide is sourced from PubChem (CID 108501621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).