N'-(cyanomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxamide

C10H16N4O2 — CID 62978700

IUPACN'-(cyanomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxamide
SMILESCN(CCNC(=O)C(=O)NCC#N)C1CC1
InChIInChI=1S/C10H16N4O2/c1-14(8-2-3-8)7-6-13-10(16)9(15)12-5-4-11/h8H,2-3,5-7H2,1H3,(H,12,15)(H,13,16)
InChIKeyHSBFWFRFTLFDAZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP-1.16
Rot. Bonds5

About N'-(cyanomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxamide

N'-(cyanomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxamide (PubChem CID 62978700) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N'-(cyanomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxamide.

Molecular Properties

Compound NameN'-(cyanomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxamide
PubChem CID62978700
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN'-(cyanomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxamide
SMILESCN(CCNC(=O)C(=O)NCC#N)C1CC1
InChIInChI=1S/C10H16N4O2/c1-14(8-2-3-8)7-6-13-10(16)9(15)12-5-4-11/h8H,2-3,5-7H2,1H3,(H,12,15)(H,13,16)
InChIKeyHSBFWFRFTLFDAZ-UHFFFAOYSA-N
XLogP-1.16
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide
CID 43316269
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62059016
4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783349
2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]propanamide
CID 63315824
1-cyclopropyl-3-[2-[cyclopropyl(methyl)amino]ethyl]urea
CID 115595301
cis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092285
propan-2-yl N-[2-[cyclopropyl(methyl)amino]ethyl]carbamate
CID 116655780
N-[2-[cyclopropyl(methyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide
CID 114038176
1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide
CID 80502256
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide
CID 114290664
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide
CID 76979692
(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide
CID 107569640

Frequently Asked Questions

What is the IUPAC name of N'-(cyanomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxamide?
The IUPAC name of N'-(cyanomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxamide (CID 62978700) is N'-(cyanomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxamide.
What is the SMILES notation for N'-(cyanomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxamide?
The canonical SMILES for N'-(cyanomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxamide is CN(CCNC(=O)C(=O)NCC#N)C1CC1.
What is the InChIKey of N'-(cyanomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxamide?
The InChIKey is HSBFWFRFTLFDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-14(8-2-3-8)7-6-13-10(16)9(15)12-5-4-11/h8H,2-3,5-7H2,1H3,(H,12,15)(H,13,16).
What are the key properties of N'-(cyanomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxamide?
N'-(cyanomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxamide has a molecular weight of 224.26 g/mol, XLogP of -1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyanomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxamide is sourced from PubChem (CID 62978700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).