6-[3-(2-aminoethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C15H19F3N4O4 — CID 166322986

IUPAC6-[3-(2-aminoethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNCCC1CCN(C(=O)c2ccc(C(N)=O)cn2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18N4O2.C2HF3O2/c14-5-3-9-4-6-17(8-9)13(19)11-2-1-10(7-16-11)12(15)18;3-2(4,5)1(6)7/h1-2,7,9H,3-6,8,14H2,(H2,15,18);(H,6,7)
InChIKeyVZKWLIMFTOLUMM-UHFFFAOYSA-N
MW376.34 g/mol
LogP0.62
Rot. Bonds4

About 6-[3-(2-aminoethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

6-[3-(2-aminoethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166322986) has the molecular formula C15H19F3N4O4 and a molecular weight of 376.34 g/mol. Its IUPAC name is 6-[3-(2-aminoethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-[3-(2-aminoethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166322986
Molecular FormulaC15H19F3N4O4
Molecular Weight376.34 g/mol
Exact Mass376.14
IUPAC Name6-[3-(2-aminoethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNCCC1CCN(C(=O)c2ccc(C(N)=O)cn2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18N4O2.C2HF3O2/c14-5-3-9-4-6-17(8-9)13(19)11-2-1-10(7-16-11)12(15)18;3-2(4,5)1(6)7/h1-2,7,9H,3-6,8,14H2,(H2,15,18);(H,6,7)
InChIKeyVZKWLIMFTOLUMM-UHFFFAOYSA-N
XLogP0.62
TPSA139.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone;dihydrochloride
CID 120727576
6-[3-(ethoxymethyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 119129886
[3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922928
6-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]pyridine-3-carboxamide
CID 119152127
[3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63765933
[3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115736878
6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 103536805
[3-(bromomethyl)pyrrolidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 80668297
(3R,4R)-1-(5-carbamoylpyridine-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120978262
(E)-3-[6-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]prop-2-enoic acid
CID 114799638
[3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride
CID 119464987
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114802012

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-aminoethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-[3-(2-aminoethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 166322986) is 6-[3-(2-aminoethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-[3-(2-aminoethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-[3-(2-aminoethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is NCCC1CCN(C(=O)c2ccc(C(N)=O)cn2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[3-(2-aminoethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is VZKWLIMFTOLUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2.C2HF3O2/c14-5-3-9-4-6-17(8-9)13(19)11-2-1-10(7-16-11)12(15)18;3-2(4,5)1(6)7/h1-2,7,9H,3-6,8,14H2,(H2,15,18);(H,6,7).
What are the key properties of 6-[3-(2-aminoethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
6-[3-(2-aminoethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 376.34 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-aminoethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166322986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).