[5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone

C17H18F3N5O2 — CID 122516985

IUPAC[5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone
SMILESNCc1cc(Oc2cncc(C(=O)N3CC[C@@H](N)C3)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N5O2/c18-17(19,20)14-3-10(6-21)4-15(24-14)27-13-5-11(7-23-8-13)16(26)25-2-1-12(22)9-25/h3-5,7-8,12H,1-2,6,9,21-22H2/t12-/m1/s1
InChIKeyIQUWAPNUQVLWGG-GFCCVEGCSA-N
MW381.36 g/mol
LogP1.92
Rot. Bonds4

About [5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone

[5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone (PubChem CID 122516985) has the molecular formula C17H18F3N5O2 and a molecular weight of 381.36 g/mol. Its IUPAC name is [5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone
PubChem CID122516985
Molecular FormulaC17H18F3N5O2
Molecular Weight381.36 g/mol
Exact Mass381.14
IUPAC Name[5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone
SMILESNCc1cc(Oc2cncc(C(=O)N3CC[C@@H](N)C3)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N5O2/c18-17(19,20)14-3-10(6-21)4-15(24-14)27-13-5-11(7-23-8-13)16(26)25-2-1-12(22)9-25/h3-5,7-8,12H,1-2,6,9,21-22H2/t12-/m1/s1
InChIKeyIQUWAPNUQVLWGG-GFCCVEGCSA-N
XLogP1.92
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone with MolForge

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Related Compounds

2-[4-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
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N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methylene]cyclohexyl]-pyridine-3-carboxamide
CID 89463724
Irafamdastat
CID 139318505
2-[3-(3-methoxyphenyl)-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 44467978
5-[[3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124155865
5-[[3-[[(E)-3-pyridin-4-ylprop-2-enoyl]amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124156322
5-[[3-(Pyridine-3-carbonylamino)phenyl]methoxy]pyridine-3-carboxamide
CID 124156728
5-[[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124156887
N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
CID 155347429
N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 155791952
6-fluoro-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)nicotinamide
CID 44403214
N-[2-[2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 71449283

Frequently Asked Questions

What is the IUPAC name of [5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone?
The IUPAC name of [5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone (CID 122516985) is [5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone?
The canonical SMILES for [5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone is NCc1cc(Oc2cncc(C(=O)N3CC[C@@H](N)C3)c2)nc(C(F)(F)F)c1.
What is the InChIKey of [5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone?
The InChIKey is IQUWAPNUQVLWGG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18F3N5O2/c18-17(19,20)14-3-10(6-21)4-15(24-14)27-13-5-11(7-23-8-13)16(26)25-2-1-12(22)9-25/h3-5,7-8,12H,1-2,6,9,21-22H2/t12-/m1/s1.
What are the key properties of [5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone?
[5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone has a molecular weight of 381.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone is sourced from PubChem (CID 122516985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).