(1R,5S)-1-amino-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide

C14H17F3N4O — CID 138016546

IUPAC(1R,5S)-1-amino-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESN[C@]12CC[C@H]1CN(C(=O)NCc1cnccc1C(F)(F)F)C2
InChIInChI=1S/C14H17F3N4O/c15-14(16,17)11-2-4-19-5-9(11)6-20-12(22)21-7-10-1-3-13(10,18)8-21/h2,4-5,10H,1,3,6-8,18H2,(H,20,22)/t10-,13-/m0/s1
InChIKeyCTFBVHUKRNILQZ-GWCFXTLKSA-N
MW314.31 g/mol
LogP1.73
Rot. Bonds2

About (1R,5S)-1-amino-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide

(1R,5S)-1-amino-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 138016546) has the molecular formula C14H17F3N4O and a molecular weight of 314.31 g/mol. Its IUPAC name is (1R,5S)-1-amino-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-1-amino-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
PubChem CID138016546
Molecular FormulaC14H17F3N4O
Molecular Weight314.31 g/mol
Exact Mass314.14
IUPAC Name(1R,5S)-1-amino-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESN[C@]12CC[C@H]1CN(C(=O)NCc1cnccc1C(F)(F)F)C2
InChIInChI=1S/C14H17F3N4O/c15-14(16,17)11-2-4-19-5-9(11)6-20-12(22)21-7-10-1-3-13(10,18)8-21/h2,4-5,10H,1,3,6-8,18H2,(H,20,22)/t10-,13-/m0/s1
InChIKeyCTFBVHUKRNILQZ-GWCFXTLKSA-N
XLogP1.73
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016526
(1R,5S)-1-amino-N-[(3-chloro-2-methoxyphenyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016603
(1R,5S)-1-amino-N-[2-(3-methylpyrazin-2-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016510
[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone
CID 138011926
(3aS,6aR)-2-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122010964
N-[(4-tert-butyl-3-pyridinyl)methyl]-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide
CID 128735144
[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone
CID 167987190
1-[[2-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 166241496
(3S,4S)-1-[(3-ethyl-4-pyridinyl)methylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122009451
(2S,6R)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide
CID 100689737
1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 115009240
5-morpholin-4-yl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 136554169

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-amino-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of (1R,5S)-1-amino-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide (CID 138016546) is (1R,5S)-1-amino-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for (1R,5S)-1-amino-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for (1R,5S)-1-amino-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide is N[C@]12CC[C@H]1CN(C(=O)NCc1cnccc1C(F)(F)F)C2.
What is the InChIKey of (1R,5S)-1-amino-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is CTFBVHUKRNILQZ-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H17F3N4O/c15-14(16,17)11-2-4-19-5-9(11)6-20-12(22)21-7-10-1-3-13(10,18)8-21/h2,4-5,10H,1,3,6-8,18H2,(H,20,22)/t10-,13-/m0/s1.
What are the key properties of (1R,5S)-1-amino-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
(1R,5S)-1-amino-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 314.31 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-amino-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 138016546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).