4-[[(2-cyanocyclopentyl)amino]methyl]benzamide

C14H17N3O — CID 55154245

IUPAC4-[[(2-cyanocyclopentyl)amino]methyl]benzamide
SMILESN#CC1CCCC1NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H17N3O/c15-8-12-2-1-3-13(12)17-9-10-4-6-11(7-5-10)14(16)18/h4-7,12-13,17H,1-3,9H2,(H2,16,18)
InChIKeyIKZTZIVQCQZODR-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.57
Rot. Bonds4

About 4-[[(2-cyanocyclopentyl)amino]methyl]benzamide

4-[[(2-cyanocyclopentyl)amino]methyl]benzamide (PubChem CID 55154245) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[[(2-cyanocyclopentyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(2-cyanocyclopentyl)amino]methyl]benzamide
PubChem CID55154245
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-[[(2-cyanocyclopentyl)amino]methyl]benzamide
SMILESN#CC1CCCC1NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H17N3O/c15-8-12-2-1-3-13(12)17-9-10-4-6-11(7-5-10)14(16)18/h4-7,12-13,17H,1-3,9H2,(H2,16,18)
InChIKeyIKZTZIVQCQZODR-UHFFFAOYSA-N
XLogP1.57
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[(2-cyanocyclopentyl)amino]methyl]benzoate
CID 62960921
4-[[(2-cyanocyclopentyl)amino]methyl]-N-methylbenzamide
CID 62961122
2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile
CID 113429756
2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile
CID 62879600
2-(pyridin-4-ylmethylamino)cycloheptane-1-carbonitrile
CID 62743142
2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile
CID 62742638
2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 62997457
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile
CID 55152539
4-[[(3-methylcyclohexyl)amino]methyl]benzamide
CID 43215986
4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]benzamide
CID 43180262
2-[(2-cyanocyclohexyl)amino]acetamide
CID 62741855
4-[(cyanoamino)methyl]benzamide
CID 124908110

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-cyanocyclopentyl)amino]methyl]benzamide?
The IUPAC name of 4-[[(2-cyanocyclopentyl)amino]methyl]benzamide (CID 55154245) is 4-[[(2-cyanocyclopentyl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[(2-cyanocyclopentyl)amino]methyl]benzamide?
The canonical SMILES for 4-[[(2-cyanocyclopentyl)amino]methyl]benzamide is N#CC1CCCC1NCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2-cyanocyclopentyl)amino]methyl]benzamide?
The InChIKey is IKZTZIVQCQZODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-8-12-2-1-3-13(12)17-9-10-4-6-11(7-5-10)14(16)18/h4-7,12-13,17H,1-3,9H2,(H2,16,18).
What are the key properties of 4-[[(2-cyanocyclopentyl)amino]methyl]benzamide?
4-[[(2-cyanocyclopentyl)amino]methyl]benzamide has a molecular weight of 243.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-cyanocyclopentyl)amino]methyl]benzamide is sourced from PubChem (CID 55154245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).