1-(2-amino-1-pyridin-2-ylethyl)-N,3-dimethylpyrrolidine-3-carboxamide

C14H22N4O — CID 106317859

IUPAC1-(2-amino-1-pyridin-2-ylethyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(CN)c2ccccn2)C1
InChIInChI=1S/C14H22N4O/c1-14(13(19)16-2)6-8-18(10-14)12(9-15)11-5-3-4-7-17-11/h3-5,7,12H,6,8-10,15H2,1-2H3,(H,16,19)
InChIKeyXOPJNAJYGJQKFK-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.54
Rot. Bonds4

About 1-(2-amino-1-pyridin-2-ylethyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(2-amino-1-pyridin-2-ylethyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106317859) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(2-amino-1-pyridin-2-ylethyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-1-pyridin-2-ylethyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106317859
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-(2-amino-1-pyridin-2-ylethyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(CN)c2ccccn2)C1
InChIInChI=1S/C14H22N4O/c1-14(13(19)16-2)6-8-18(10-14)12(9-15)11-5-3-4-7-17-11/h3-5,7,12H,6,8-10,15H2,1-2H3,(H,16,19)
InChIKeyXOPJNAJYGJQKFK-UHFFFAOYSA-N
XLogP0.54
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317853
2-pyridin-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 63603481
N,3-dimethyl-1-(1-oxo-1-phenylbutan-2-yl)pyrrolidine-3-carboxamide
CID 106319174
1-[1-(2,6-dihydroxyphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322633
1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151013
1-[2-amino-1-(furan-2-yl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317794
2-pyridin-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537050
4-methyl-1-propan-2-yl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 134515265
1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317790
1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317610
2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 106317951
N,4-dimethyl-1-(1-pyridin-2-ylethyl)piperidin-4-amine
CID 115304187

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-pyridin-2-ylethyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-amino-1-pyridin-2-ylethyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106317859) is 1-(2-amino-1-pyridin-2-ylethyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-1-pyridin-2-ylethyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-1-pyridin-2-ylethyl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(CN)c2ccccn2)C1.
What is the InChIKey of 1-(2-amino-1-pyridin-2-ylethyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is XOPJNAJYGJQKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(13(19)16-2)6-8-18(10-14)12(9-15)11-5-3-4-7-17-11/h3-5,7,12H,6,8-10,15H2,1-2H3,(H,16,19).
What are the key properties of 1-(2-amino-1-pyridin-2-ylethyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(2-amino-1-pyridin-2-ylethyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-pyridin-2-ylethyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106317859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).