2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide

C10H15N3O2 — CID 79401165

IUPAC2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
SMILESCC(C#N)C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C10H15N3O2/c1-7(6-11)10(15)12-5-4-9(14)13-8-2-3-8/h7-8H,2-5H2,1H3,(H,12,15)(H,13,14)
InChIKeyIGDUNYBIJJVNCY-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.07
Rot. Bonds5

About 2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide

2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide (PubChem CID 79401165) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide.

Molecular Properties

Compound Name2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
PubChem CID79401165
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
SMILESCC(C#N)C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C10H15N3O2/c1-7(6-11)10(15)12-5-4-9(14)13-8-2-3-8/h7-8H,2-5H2,1H3,(H,12,15)(H,13,14)
InChIKeyIGDUNYBIJJVNCY-UHFFFAOYSA-N
XLogP-0.07
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopropylamino)-3-oxopropyl]-2-(methylamino)propanamide
CID 79400764
N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide
CID 103515809
2-cyano-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylbutanamide
CID 79400785
(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide
CID 79401066
2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 116678382
2-cyano-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401012
3-(cyanomethylamino)-N-cyclopropylpropanamide
CID 79394850
N-cyclopropyl-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394773
(2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119299474
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide
CID 79401443
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 79400915
N-cyclopropyl-3-(2-methylpropylamino)propanamide
CID 62626467

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide?
The IUPAC name of 2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide (CID 79401165) is 2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide.
What is the SMILES notation for 2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide?
The canonical SMILES for 2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide is CC(C#N)C(=O)NCCC(=O)NC1CC1.
What is the InChIKey of 2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide?
The InChIKey is IGDUNYBIJJVNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(6-11)10(15)12-5-4-9(14)13-8-2-3-8/h7-8H,2-5H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide?
2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide has a molecular weight of 209.25 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide is sourced from PubChem (CID 79401165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).