6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

C14H22N4O — CID 114802345

IUPAC6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCC(CCN)C2)nc1
InChIInChI=1S/C14H22N4O/c1-17(2)14(19)12-3-4-13(16-9-12)18-8-6-11(10-18)5-7-15/h3-4,9,11H,5-8,10,15H2,1-2H3
InChIKeyRNJAUPKJLJRVSF-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.96
Rot. Bonds4

About 6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 114802345) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID114802345
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCC(CCN)C2)nc1
InChIInChI=1S/C14H22N4O/c1-17(2)14(19)12-3-4-13(16-9-12)18-8-6-11(10-18)5-7-15/h3-4,9,11H,5-8,10,15H2,1-2H3
InChIKeyRNJAUPKJLJRVSF-UHFFFAOYSA-N
XLogP0.96
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 115658002
6-[4-(2-aminoethoxy)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 82688178
2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 114802391
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 112627949
ethyl 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 115657940
ethyl 6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 62371889
N,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133331661
6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129371025
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 78999071
6-[4-(2-aminoethyl)piperidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 103341143
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 107227673
6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445649

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (CID 114802345) is 6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(N2CCC(CCN)C2)nc1.
What is the InChIKey of 6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is RNJAUPKJLJRVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17(2)14(19)12-3-4-13(16-9-12)18-8-6-11(10-18)5-7-15/h3-4,9,11H,5-8,10,15H2,1-2H3.
What are the key properties of 6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 114802345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).