2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide

C14H18N4O — CID 62062180

IUPAC2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CN2CCC(CN)C2)c1
InChIInChI=1S/C14H18N4O/c15-7-11-2-1-3-13(6-11)17-14(19)10-18-5-4-12(8-16)9-18/h1-3,6,12H,4-5,8-10,16H2,(H,17,19)
InChIKeyFKDGUHBPJKTCSY-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.78
Rot. Bonds4

About 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide (PubChem CID 62062180) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide
PubChem CID62062180
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CN2CCC(CN)C2)c1
InChIInChI=1S/C14H18N4O/c15-7-11-2-1-3-13(6-11)17-14(19)10-18-5-4-12(8-16)9-18/h1-3,6,12H,4-5,8-10,16H2,(H,17,19)
InChIKeyFKDGUHBPJKTCSY-UHFFFAOYSA-N
XLogP0.78
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 115688555
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)acetamide
CID 11940583
N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63164005
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119918098
2-[1-[2-(3-cyanoanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618327
N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107226088
1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43176765
methyl 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742254
2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide
CID 95784747
2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide
CID 79993290
N-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide
CID 115667757
ethyl (3R)-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532743

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide (CID 62062180) is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)CN2CCC(CN)C2)c1.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide?
The InChIKey is FKDGUHBPJKTCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-7-11-2-1-3-13(6-11)17-14(19)10-18-5-4-12(8-16)9-18/h1-3,6,12H,4-5,8-10,16H2,(H,17,19).
What are the key properties of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide?
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide has a molecular weight of 258.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 62062180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).