4-[[(2-cyanocyclopentyl)amino]methyl]-N-methylbenzamide

C15H19N3O — CID 62961122

IUPAC4-[[(2-cyanocyclopentyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC2CCCC2C#N)cc1
InChIInChI=1S/C15H19N3O/c1-17-15(19)12-7-5-11(6-8-12)10-18-14-4-2-3-13(14)9-16/h5-8,13-14,18H,2-4,10H2,1H3,(H,17,19)
InChIKeyNFTBBJNUYVHSSZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.83
Rot. Bonds4

About 4-[[(2-cyanocyclopentyl)amino]methyl]-N-methylbenzamide

4-[[(2-cyanocyclopentyl)amino]methyl]-N-methylbenzamide (PubChem CID 62961122) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[[(2-cyanocyclopentyl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(2-cyanocyclopentyl)amino]methyl]-N-methylbenzamide
PubChem CID62961122
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[[(2-cyanocyclopentyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC2CCCC2C#N)cc1
InChIInChI=1S/C15H19N3O/c1-17-15(19)12-7-5-11(6-8-12)10-18-14-4-2-3-13(14)9-16/h5-8,13-14,18H,2-4,10H2,1H3,(H,17,19)
InChIKeyNFTBBJNUYVHSSZ-UHFFFAOYSA-N
XLogP1.83
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.83
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]benzamide
CID 55154245
2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile
CID 62879600
2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile
CID 62742638
2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 62997457
2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile
CID 113429756
4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-N-methylbenzamide
CID 43121641
4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-N-methylbenzamide
CID 64922349
2-(pyridin-4-ylmethylamino)cycloheptane-1-carbonitrile
CID 62743142
N-methyl-4-[(thian-4-ylamino)methyl]benzamide
CID 43329353
4-[[(1,1-dioxothian-4-yl)amino]methyl]-N-methylbenzamide
CID 43511571
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile
CID 55152539

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-cyanocyclopentyl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(2-cyanocyclopentyl)amino]methyl]-N-methylbenzamide (CID 62961122) is 4-[[(2-cyanocyclopentyl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(2-cyanocyclopentyl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(2-cyanocyclopentyl)amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNC2CCCC2C#N)cc1.
What is the InChIKey of 4-[[(2-cyanocyclopentyl)amino]methyl]-N-methylbenzamide?
The InChIKey is NFTBBJNUYVHSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-17-15(19)12-7-5-11(6-8-12)10-18-14-4-2-3-13(14)9-16/h5-8,13-14,18H,2-4,10H2,1H3,(H,17,19).
What are the key properties of 4-[[(2-cyanocyclopentyl)amino]methyl]-N-methylbenzamide?
4-[[(2-cyanocyclopentyl)amino]methyl]-N-methylbenzamide has a molecular weight of 257.34 g/mol, XLogP of 1.83, 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]-N-methylbenzamide is sourced from PubChem (CID 62961122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).