N-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide

C17H21N3O — CID 122153638

IUPACN-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide
SMILESCC1CN(C(C)C(=O)NC2(c3cccc(C#N)c3)CC2)C1
InChIInChI=1S/C17H21N3O/c1-12-10-20(11-12)13(2)16(21)19-17(6-7-17)15-5-3-4-14(8-15)9-18/h3-5,8,12-13H,6-7,10-11H2,1-2H3,(H,19,21)
InChIKeyWMSVQZBVCOGCJA-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.00
Rot. Bonds4

About N-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide

N-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide (PubChem CID 122153638) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide
PubChem CID122153638
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide
SMILESCC1CN(C(C)C(=O)NC2(c3cccc(C#N)c3)CC2)C1
InChIInChI=1S/C17H21N3O/c1-12-10-20(11-12)13(2)16(21)19-17(6-7-17)15-5-3-4-14(8-15)9-18/h3-5,8,12-13H,6-7,10-11H2,1-2H3,(H,19,21)
InChIKeyWMSVQZBVCOGCJA-UHFFFAOYSA-N
XLogP2.00
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083490
N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide
CID 154880376
(1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide
CID 125144380
(2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 99850769
(E)-N-[1-(3-cyanophenyl)cyclopropyl]-4-(dimethylamino)but-2-enamide
CID 146097715
1-[1-(3-cyanophenyl)cyclopropyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea
CID 122156598
N-[1-(3-cyanophenyl)cyclopropyl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 122153617
4-[[1-(3-cyanophenyl)cyclopropyl]carbamoylamino]-5-phenylpentanoic acid
CID 122027628
4-[1-[[(2R)-2-[(3-cyanophenyl)methoxy]-3-methylbutanoyl]amino]cyclopropyl]benzoic acid
CID 156722151
N-[1-(3-cyanophenyl)cyclopropyl]-3-ethoxy-1H-pyrazole-5-carboxamide
CID 122153524
(2S)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)propanamide
CID 11940267
3-[[4-(3-cyanophenyl)oxan-4-yl]carbamoyl]benzoic acid
CID 154788901

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide?
The IUPAC name of N-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide (CID 122153638) is N-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide.
What is the SMILES notation for N-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide?
The canonical SMILES for N-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide is CC1CN(C(C)C(=O)NC2(c3cccc(C#N)c3)CC2)C1.
What is the InChIKey of N-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide?
The InChIKey is WMSVQZBVCOGCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-10-20(11-12)13(2)16(21)19-17(6-7-17)15-5-3-4-14(8-15)9-18/h3-5,8,12-13H,6-7,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide?
N-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide has a molecular weight of 283.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide is sourced from PubChem (CID 122153638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).